Type:
---AlogP:
0.12Polar Surface Area:
249.20HBA:
15HBD:
9#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.15DETAILS
Type:
---AlogP:
-0.10Polar Surface Area:
190.67HBA:
13HBD:
5#RO5 Violations:
2#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.19DETAILS
Type:
UnknownAlogP:
2.29Polar Surface Area:
41.49HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.86DETAILS
Type:
Small moleculeAlogP:
2.74Polar Surface Area:
32.26HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.73DETAILS
Type:
UnknownAlogP:
2.77Polar Surface Area:
29.54HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.62DETAILS-
Type:
---AlogP:
5.30Polar Surface Area:
111.13HBA:
6HBD:
4#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
---AlogP:
0.85Polar Surface Area:
235.68HBA:
16HBD:
8#RO5 Violations:
3#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
3.32Polar Surface Area:
42.35HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
2.85Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
1.88Polar Surface Area:
0.00HBA:
---HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
1.12Polar Surface Area:
24.11HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
2.15Polar Surface Area:
3.88HBA:
---HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.56DETAILS - ALA2074858
Name:
1-ethyl-3-phenylpyridiniumCas Number:
126633-59-8Mol. Formula:
C13H14N+M.W.:
184.26Type:
Small moleculeAlogP:
2.66Polar Surface Area:
3.88HBA:
---HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
3.44Polar Surface Area:
0.00HBA:
---HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
2.58Polar Surface Area:
24.72HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
3.71Polar Surface Area:
48.19HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
2.84Polar Surface Area:
77.86HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
1.13Polar Surface Area:
72.72HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
1.28Polar Surface Area:
26.02HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
3.69Polar Surface Area:
3.88HBA:
---HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS
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