ALA5272268Name:
2-(3-Chloro-4-hydroxyphenyl)-6-hydroxy-2,3-dihydro-4H-1-benzopyran-4-oneMol. Formula:
C15H11ClO4M.W.:
290.70Type:
---AlogP:
3.46Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.84DETAILS
Type:
---AlogP:
4.11Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.83DETAILS
Type:
---AlogP:
4.11Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.83DETAILS
ALA5280946Name:
2-(3-Chloro-4-hydroxyphenyl)-7-hydroxy-2,3-dihydro-4H-1-benzopyran-4-oneMol. Formula:
C15H11ClO4M.W.:
290.70Type:
---AlogP:
3.46Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.84DETAILS
ALA5280352Name:
2-(4-Chlorophenyl)-5,7-dihydroxy-2,3-dihydro-4H-1-benzopyran-4-oneMol. Formula:
C15H11ClO4M.W.:
290.70Type:
---AlogP:
3.46Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.84DETAILS- ALA5276223
Name:
2-(3,5-Dichlorophenyl)-5,7-dihydroxy-2,3-dihydro-4H-1-benzopyran-4-oneMol. Formula:
C15H10Cl2O4M.W.:
325.15Type:
---AlogP:
4.11Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA5286735
Name:
2-(3-Chloro-4-hydroxyphenyl)-5-hydroxy-2,3-dihydro-4H-1-benzopyran-4-oneMol. Formula:
C15H11ClO4M.W.:
290.70Type:
---AlogP:
3.46Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
---AlogP:
3.82Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
---AlogP:
3.16Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
---AlogP:
4.11Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
---AlogP:
2.55Polar Surface Area:
76.70HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA5206849
Name:
7-Amino-3-(4-hydroxy-3,5-dimethylphenethyl)-1,4-dimethylquinolin-2(1H)-oneMol. Formula:
C21H24N2O2M.W.:
336.44Type:
---AlogP:
3.54Polar Surface Area:
68.25HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA5205412
Name:
(3,5-dichlorophenyl)(3,4-dihydroxy-5-nitrophenyl)methanoneMol. Formula:
C13H7Cl2NO5M.W.:
328.11Type:
---AlogP:
3.54Polar Surface Area:
100.67HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
---AlogP:
4.61Polar Surface Area:
163.69HBA:
8HBD:
3#RO5 Violations:
1#Rotatable Bonds:
23Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
---AlogP:
4.05Polar Surface Area:
62.46HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA5199057
Name:
2-(3-fluoro-4-hydroxyphenyl)-6-vinylbenzo[d]oxazol-5-olMol. Formula:
C15H10FNO3M.W.:
271.25Type:
---AlogP:
3.69Polar Surface Area:
66.49HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
---AlogP:
3.66Polar Surface Area:
62.46HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
---AlogP:
2.95Polar Surface Area:
85.93HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS - Alizarin yellow GG indicator
Name:
sodium 2-hydroxy-5-((3-nitrophenyl)diazenyl)benzoateMol. Formula:
C13H8N3NaO5M.W.:
309.21Type:
---AlogP:
3.41Polar Surface Area:
125.39HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
---AlogP:
2.94Polar Surface Area:
76.70HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS
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