Compounds

ALA5280900

Name:
rac-5-Chloro-3-nitro-2-(trifluoromethyl)-2H-chromene

Mol. Formula:
C10H5ClF3NO3

M.W.:
279.60

Type:
---

AlogP:
3.28

Polar Surface Area:
52.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5280827

Name:
rac-3-Nitro-2-(trifluoromethyl)-6-((4-(trifluoromethyl)phenyl)ethynyl)-2H-cShow More⌵

Mol. Formula:
C19H9F6NO3

M.W.:
413.27

Type:
---

AlogP:
5.05

Polar Surface Area:
52.37

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5280754

Name:
rac-6,8-Difluoro-3-nitro-2-(trifluoromethyl)-2H-chromene

Mol. Formula:
C10H4F5NO3

M.W.:
281.14

Type:
---

AlogP:
2.91

Polar Surface Area:
52.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.45

DETAILS

ALA5280679

Name:
rac-2-(Trifluoromethyl)chroman-3-amine

Mol. Formula:
C10H10F3NO

M.W.:
217.19

Type:
---

AlogP:
1.88

Polar Surface Area:
35.25

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA5279730

Name:
rac-6-Chloro-3-nitro-2-(trifluoromethyl)-2H-chromene

Mol. Formula:
C10H5ClF3NO3

M.W.:
279.60

Type:
---

AlogP:
3.28

Polar Surface Area:
52.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5279172

Name:
rac-6-((4-Chlorophenyl)ethynyl)-3-nitro-2-(trifluoromethyl)-2H-chromene

Mol. Formula:
C18H9ClF3NO3

M.W.:
379.72

Type:
---

AlogP:
4.68

Polar Surface Area:
52.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5278019

Name:
rac-Triethyl((3-nitro-2-(trifluoromethyl)-2H-chromen-5-yl)ethynyl)silane

Mol. Formula:
C18H20F3NO3Si

M.W.:
383.44

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5277295

Name:
rac-8-Chloro-3-nitro-2-(trifluoromethyl)-2H-chromene

Mol. Formula:
C10H5ClF3NO3

M.W.:
279.60

Type:
---

AlogP:
3.28

Polar Surface Area:
52.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5274964

Name:
rac-((2-Cyclopropyl-3-nitro-2H-chromen-6-yl)ethynyl)triethylsilane

Mol. Formula:
C20H25NO3Si

M.W.:
355.51

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5274312

Name:
rac-Triethyl((3-nitro-2-(trifluoromethyl)-2H-chromen-8-yl)ethynyl)silane

Mol. Formula:
C18H20F3NO3Si

M.W.:
383.44

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5272895

Name:
1,2-bis(4-isothiocyanatophenyl)ethane

Mol. Formula:
C16H12N2S2

M.W.:
296.42

Type:
---

AlogP:
4.94

Polar Surface Area:
24.72

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5286996

Name:
rac-8-Bromo-6-fluoro-3-nitro-2-(trifluoromethyl)-2H-chromene

Mol. Formula:
C10H4BrF4NO3

M.W.:
342.04

Type:
---

AlogP:
3.53

Polar Surface Area:
52.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5285710

Name:
rac-6-Iodo-2-methyl-3-nitro-2H-chromene

Mol. Formula:
C10H8INO3

M.W.:
317.08

Type:
---

AlogP:
2.69

Polar Surface Area:
52.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5284411

Name:
rac-6-((4-Fluorophenyl)ethynyl)-3-nitro-2-(trifluoromethyl)-2H-chromene

Mol. Formula:
C18H9F4NO3

M.W.:
363.27

Type:
---

AlogP:
4.17

Polar Surface Area:
52.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5283362

Name:
rac-(4-((3-Nitro-2-(trifluoromethyl)-2H-chromen-6-yl)ethynyl)phenyl)methanoShow More⌵

Mol. Formula:
C19H12F3NO4

M.W.:
375.30

Type:
---

AlogP:
3.52

Polar Surface Area:
72.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5283093

Name:
rac-5-Iodo-3-nitro-2-(trifluoromethyl)-2H-chromene

Mol. Formula:
C10H5F3INO3

M.W.:
371.05

Type:
---

AlogP:
3.23

Polar Surface Area:
52.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5283029

Name:
rac-8-Iodo-3-nitro-2-(trifluoromethyl)-2H-chromene

Mol. Formula:
C10H5F3INO3

M.W.:
371.05

Type:
---

AlogP:
3.23

Polar Surface Area:
52.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5288948

Name:
rac-7-Chloro-3-nitro-2-(trifluoromethyl)-2H-chromene

Mol. Formula:
C10H5ClF3NO3

M.W.:
279.60

Type:
---

AlogP:
3.28

Polar Surface Area:
52.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5287628

Name:
rac-2-Cyclobutyl-6-iodo-3-nitro-2H-chromene

Mol. Formula:
C13H12INO3

M.W.:
357.15

Type:
---

AlogP:
3.47

Polar Surface Area:
52.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5287483

Name:
rac-6-Fluoro-3-nitro-2-(trifluoromethyl)-2H-chromene

Mol. Formula:
C10H5F4NO3

M.W.:
263.15

Type:
---

AlogP:
2.77

Polar Surface Area:
52.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.44

DETAILS