ALA4560599Name:
N-(2-Bromo-5-nitrophenyl)acetamideCas Number:
90221-50-4Mol. Formula:
C8H7BrN2O3M.W.:
259.06Type:
UnknownAlogP:
2.32Polar Surface Area:
72.24HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.65DETAILS
Type:
UnknownAlogP:
2.97Polar Surface Area:
144.48HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.55DETAILS
ALA4567423Name:
N,N'-(Butane-1,4-diyl)bis(4-nitrobenzamide)Cas Number:
34062-77-6Mol. Formula:
C18H18N4O6M.W.:
386.36Type:
UnknownAlogP:
2.44Polar Surface Area:
144.48HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.38DETAILS
ALA4548007Name:
(4-nitrophenyl)(piperidin-1-yl)methanoneCas Number:
20857-92-5Mol. Formula:
C12H14N2O3M.W.:
234.25Type:
UnknownAlogP:
2.22Polar Surface Area:
63.45HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.58DETAILS
Type:
UnknownAlogP:
2.97Polar Surface Area:
144.48HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.55DETAILS-
Type:
UnknownAlogP:
1.88Polar Surface Area:
106.59HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA4462402
Name:
4-Methyl-3,5-dinitro-N-(4-nitrophenyl)benzamideMol. Formula:
C14H10N4O7M.W.:
346.26Type:
UnknownAlogP:
2.97Polar Surface Area:
158.52HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
UnknownAlogP:
2.64Polar Surface Area:
204.90HBA:
10HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
UnknownAlogP:
2.97Polar Surface Area:
144.48HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA4543507
Name:
N,N'-(Ethane-1,2-diyl)bis(4-nitrobenzamide)Cas Number:
33288-81-2Mol. Formula:
C16H14N4O6M.W.:
358.31Type:
UnknownAlogP:
1.66Polar Surface Area:
144.48HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
UnknownAlogP:
2.73Polar Surface Area:
161.76HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA4457334
Name:
N,N'-(1,4-Phenylene)bis(4-nitrobenzamide)Cas Number:
5922-25-8Mol. Formula:
C20H14N4O6M.W.:
406.35Type:
UnknownAlogP:
4.01Polar Surface Area:
144.48HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA4456425
Name:
(4-(hydroxyamino)phenyl)(piperidin-1-yl)methanoneMol. Formula:
C12H16N2O2M.W.:
220.27Type:
UnknownAlogP:
2.11Polar Surface Area:
52.57HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.75DETAILS -
Type:
UnknownAlogP:
4.01Polar Surface Area:
144.48HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
UnknownAlogP:
2.73Polar Surface Area:
63.45HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
UnknownAlogP:
0.96Polar Surface Area:
61.80HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS
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