Type:
UnknownAlogP:
5.04Polar Surface Area:
191.02HBA:
10HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.32DETAILS
ALA4762376Name:
1,4-bis(2,4-dinitrophenoxy)benzeneCas Number:
4434-08-6Mol. Formula:
C18H10N4O10M.W.:
442.30Type:
UnknownAlogP:
4.90Polar Surface Area:
191.02HBA:
10HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.34DETAILS
Type:
UnknownAlogP:
3.43Polar Surface Area:
95.51HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS
Type:
UnknownAlogP:
3.57Polar Surface Area:
95.51HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS
ALA4760011Name:
3-(2,4-dinitrophenoxy)-1,2,4,5-tetrafluorobenzeneMol. Formula:
C12H4F4N2O5M.W.:
332.17Type:
UnknownAlogP:
3.85Polar Surface Area:
95.51HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.37DETAILS-
Type:
UnknownAlogP:
3.06Polar Surface Area:
65.26HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA4777949
Name:
2-(4-fluorophenoxy)-5-nitropyridineCas Number:
31011-26-4Mol. Formula:
C11H7FN2O3M.W.:
234.19Type:
UnknownAlogP:
2.92Polar Surface Area:
65.26HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA4784519
Name:
1-fluoro-4-(4-nitrophenoxy)benzeneCas Number:
2561-25-3Mol. Formula:
C12H8FNO3M.W.:
233.20Type:
UnknownAlogP:
3.53Polar Surface Area:
52.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA4784495
Name:
1-(4-fluorophenoxy)-2,4-dinitrobenzeneCas Number:
1033-02-9Mol. Formula:
C12H7FN2O5M.W.:
278.20Type:
UnknownAlogP:
3.43Polar Surface Area:
95.51HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
UnknownAlogP:
3.52Polar Surface Area:
98.31HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA4782704
Name:
2,4-dichloro-1-(2,4-dinitrophenoxy)benzeneCas Number:
52423-45-7Mol. Formula:
C12H6Cl2N2O5M.W.:
329.10Type:
UnknownAlogP:
4.60Polar Surface Area:
95.51HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA4795563
Name:
2,4-dinitro 1-(4-(trifluoromethyl)phenoxy)-benzeneMol. Formula:
C13H7F3N2O5M.W.:
328.20Type:
UnknownAlogP:
4.31Polar Surface Area:
95.51HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA4791475
Name:
(2,4-difluorophenyl)(2,4-dinitrophenyl)sulfaneMol. Formula:
C12H6F2N2O4SM.W.:
312.25Type:
UnknownAlogP:
3.93Polar Surface Area:
86.28HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA4788492
Name:
4-(2,4-dinitrophenoxy)benzoic acidCas Number:
3761-31-7Mol. Formula:
C13H8N2O7M.W.:
304.21Type:
UnknownAlogP:
2.99Polar Surface Area:
132.81HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA4788282
Name:
1-(2,4-dinitrophenoxy)-2,3,4-trifluorobenzeneMol. Formula:
C12H5F3N2O5M.W.:
314.17Type:
UnknownAlogP:
3.71Polar Surface Area:
95.51HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA4787246
Name:
2,4-difluoro-1-(4-nitrophenoxy)benzeneCas Number:
28280-37-7Mol. Formula:
C12H7F2NO3M.W.:
251.19Type:
UnknownAlogP:
3.67Polar Surface Area:
52.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
UnknownAlogP:
3.57Polar Surface Area:
95.51HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
5.14Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
7.91Polar Surface Area:
29.10HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
7.46Polar Surface Area:
29.10HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.41DETAILS
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