Type:
UnknownAlogP:
3.57Polar Surface Area:
95.51HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS
ALA4795563Name:
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
ALA4791475Name:
(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
Type:
UnknownAlogP:
2.99Polar Surface Area:
132.81HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.66DETAILS
Type:
UnknownAlogP:
3.71Polar Surface Area:
95.51HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS-
Type:
UnknownAlogP:
3.67Polar Surface Area:
52.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS - 1-(4-Fluorophenoxy)-4-nitrobenzene
Name:
1-fluoro-4-(4-nitrophenoxy)benzeneMol. Formula:
C12H8FNO3M.W.:
233.20Type:
UnknownAlogP:
3.53Polar Surface Area:
52.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.60DETAILS - 2,4-Dinitro-4'-fluorodiphenyl ether
Name:
1-(4-fluorophenoxy)-2,4-dinitrobenzeneMol. 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 -
Type:
UnknownAlogP:
4.60Polar Surface Area:
95.51HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
UnknownAlogP:
2.92Polar Surface Area:
65.26HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
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 - ALA4760011
Name:
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 -
Type:
UnknownAlogP:
3.39Polar Surface Area:
65.26HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA4749713
Name:
4,4'-((4,6-dinitro-1,3-phenylene)bis(oxy))bis(1,3-difluorobenzene)Mol. Formula:
C18H8F4N2O6M.W.:
424.26Type:
UnknownAlogP:
5.64Polar Surface Area:
104.74HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
UnknownAlogP:
3.00Polar Surface Area:
112.58HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA4748170
Name:
4,4'-(2-nitro-1,4-phenylene)bis(oxy)bis(1,3-difluorobenzene)Mol. Formula:
C18H9F4NO4M.W.:
379.26Type:
UnknownAlogP:
5.74Polar Surface Area:
61.60HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.32DETAILS
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