Type:
---AlogP:
5.99Polar Surface Area:
113.03HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.17DETAILS
Type:
---AlogP:
0.41Polar Surface Area:
76.74HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS
ALA5277280Name:
1,2-bis(2-(6-carboxyhexyl)phenyl)diazene 1-oxideMol. Formula:
C26H34N2O5M.W.:
454.57Type:
---AlogP:
6.77Polar Surface Area:
113.03HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.13DETAILS
Type:
---AlogP:
5.99Polar Surface Area:
113.03HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.17DETAILS
Type:
---AlogP:
4.13Polar Surface Area:
36.15HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.77DETAILS-
Type:
---AlogP:
3.40Polar Surface Area:
63.84HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
---AlogP:
3.76Polar Surface Area:
95.08HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA5219810
Name:
2-(benzylideneamino)thiophene-3-carbonitrileCas Number:
338777-43-8Mol. Formula:
C12H8N2SM.W.:
212.28Type:
---AlogP:
3.37Polar Surface Area:
36.15HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
---AlogP:
3.28Polar Surface Area:
79.29HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
0.77Polar Surface Area:
122.09HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
0.91Polar Surface Area:
94.40HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
5.10Polar Surface Area:
26.30HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
5.12Polar Surface Area:
26.30HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
8.25Polar Surface Area:
74.60HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
Small moleculeAlogP:
2.88Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
3.45Polar Surface Area:
43.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
5.24Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
5.13Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
4.88Polar Surface Area:
88.43HBA:
9HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
3.13Polar Surface Area:
130.88HBA:
14HBD:
---#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.19DETAILS
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