ALA5220541Name:
2-(4-nitrobenzylideneamino)thiophene-3-carbonitrileMol. Formula:
C12H7N3O2SM.W.:
257.27Type:
---AlogP:
3.28Polar Surface Area:
79.29HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS
ALA5220393Name:
2-(2-nitrobenzylideneamino)thiophene-3-carbonitrileMol. Formula:
C12H7N3O2SM.W.:
257.27Type:
---AlogP:
3.28Polar Surface Area:
79.29HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS
Type:
---AlogP:
3.46Polar Surface Area:
110.13HBA:
11HBD:
1#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.24DETAILS
Type:
---AlogP:
3.34Polar Surface Area:
119.36HBA:
12HBD:
1#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.22DETAILS
Type:
---AlogP:
3.34Polar Surface Area:
119.36HBA:
12HBD:
1#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.22DETAILS-
Type:
---AlogP:
5.50Polar Surface Area:
110.13HBA:
11HBD:
1#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
---AlogP:
3.46Polar Surface Area:
110.13HBA:
11HBD:
1#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
---AlogP:
5.36Polar Surface Area:
86.33HBA:
8HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
---AlogP:
3.46Polar Surface Area:
110.13HBA:
11HBD:
1#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
---AlogP:
1.98Polar Surface Area:
110.13HBA:
11HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
---AlogP:
3.84Polar Surface Area:
86.20HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
---AlogP:
2.05Polar Surface Area:
110.13HBA:
11HBD:
1#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
---AlogP:
5.50Polar Surface Area:
110.13HBA:
11HBD:
1#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
---AlogP:
4.48Polar Surface Area:
110.13HBA:
11HBD:
1#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
---AlogP:
1.98Polar Surface Area:
110.13HBA:
11HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
---AlogP:
4.48Polar Surface Area:
110.13HBA:
11HBD:
1#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
---AlogP:
3.46Polar Surface Area:
110.13HBA:
11HBD:
1#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
UnknownAlogP:
3.19Polar Surface Area:
97.24HBA:
12HBD:
1#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
UnknownAlogP:
8.23Polar Surface Area:
125.38HBA:
8HBD:
2#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
UnknownAlogP:
3.09Polar Surface Area:
54.12HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILS
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