Type:
UnknownAlogP:
5.54Polar Surface Area:
71.15HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS
Type:
UnknownAlogP:
2.15Polar Surface Area:
24.83HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.71DETAILS
Type:
UnknownAlogP:
4.14Polar Surface Area:
65.16HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS
Type:
UnknownAlogP:
5.35Polar Surface Area:
77.46HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.52DETAILS
Type:
UnknownAlogP:
0.85Polar Surface Area:
140.18HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILS-
Type:
UnknownAlogP:
2.91Polar Surface Area:
121.60HBA:
11HBD:
3#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA4513664
Name:
2,2,3,3,4,4,5,5-octafluoropentan-1-olCas Number:
355-80-6Mol. Formula:
C5H4F8OM.W.:
232.07Type:
UnknownAlogP:
2.15Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
UnknownAlogP:
7.26Polar Surface Area:
320.16HBA:
18HBD:
3#RO5 Violations:
3#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.04DETAILS -
Type:
UnknownAlogP:
6.87Polar Surface Area:
69.56HBA:
3HBD:
3#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
UnknownAlogP:
7.71Polar Surface Area:
43.38HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
UnknownAlogP:
6.77Polar Surface Area:
60.56HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA4483750
Name:
N-(5-bromopyrazin-2-yl)acetamideCas Number:
174680-67-2Mol. Formula:
C6H6BrN3OM.W.:
216.04Type:
UnknownAlogP:
1.20Polar Surface Area:
54.88HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.77DETAILS -
Type:
UnknownAlogP:
5.10Polar Surface Area:
77.46HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
UnknownAlogP:
16.08Polar Surface Area:
102.12HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.06DETAILS -
Type:
UnknownAlogP:
1.02Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.56DETAILS -
Type:
UnknownAlogP:
1.30Polar Surface Area:
118.09HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
UnknownAlogP:
5.04Polar Surface Area:
223.54HBA:
12HBD:
6#RO5 Violations:
4#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.04DETAILS -
Type:
UnknownAlogP:
1.87Polar Surface Area:
96.97HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
UnknownAlogP:
3.40Polar Surface Area:
95.08HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
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