Type:
---AlogP:
2.59Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.25DETAILS
Type:
---AlogP:
2.71Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.42DETAILS
Type:
---AlogP:
1.19Polar Surface Area:
43.09HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.63DETAILS
Type:
---AlogP:
2.08Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.52DETAILS
Type:
---AlogP:
1.82Polar Surface Area:
37.30HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.46DETAILS-
Type:
---AlogP:
1.81Polar Surface Area:
60.21HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
---AlogP:
3.21Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA5285785
Name:
3-(4-chloro-3-(trifluoromethyl)phenyl)acrylaldehydeMol. Formula:
C10H6ClF3OM.W.:
234.60Type:
---AlogP:
3.57Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
---AlogP:
1.70Polar Surface Area:
34.14HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.70DETAILS -
Type:
---AlogP:
2.07Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
2.69Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.35DETAILS
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