ALA2270126Name:
1-nitro-2-(m-tolyloxy)benzeneCas Number:
54495-62-4Mol. Formula:
C13H11NO3M.W.:
229.24Type:
Small moleculeAlogP:
3.70Polar Surface Area:
52.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.60DETAILS
Type:
Small moleculeAlogP:
4.65Polar Surface Area:
33.02HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS
Type:
Small moleculeAlogP:
4.68Polar Surface Area:
52.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.60DETAILS
Type:
Small moleculeAlogP:
3.39Polar Surface Area:
52.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS
ALA2270122Name:
1-(4-chlorophenoxy)-2-nitrobenzeneCas Number:
39145-47-6Mol. Formula:
C12H8ClNO3M.W.:
249.65Type:
Small moleculeAlogP:
4.04Polar Surface Area:
52.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.61DETAILS- ALA2270121
Name:
2,4'-oxybis(nitrobenzene)Cas Number:
5950-83-4Mol. Formula:
C12H8N2O5M.W.:
260.20Type:
Small moleculeAlogP:
3.30Polar Surface Area:
95.51HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA2270120
Name:
2-(4-chlorophenoxy)benzonitrileCas Number:
146537-85-1Mol. Formula:
C13H8ClNOM.W.:
229.67Type:
Small moleculeAlogP:
4.00Polar Surface Area:
33.02HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA2270119
Name:
1-tert-butyl-4-(4-nitrophenoxy)benzeneCas Number:
34859-82-0Mol. Formula:
C16H17NO3M.W.:
271.32Type:
Small moleculeAlogP:
4.68Polar Surface Area:
52.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA2270118
Name:
1-methyl-3-(4-nitrophenoxy)benzeneCas Number:
2303-25-5Mol. Formula:
C13H11NO3M.W.:
229.24Type:
Small moleculeAlogP:
3.70Polar Surface Area:
52.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
3.30Polar Surface Area:
95.51HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA2270116
Name:
1-chloro-4-(4-nitrophenoxy)benzeneCas Number:
1836-74-4Mol. Formula:
C12H8ClNO3M.W.:
249.65Type:
Small moleculeAlogP:
4.04Polar Surface Area:
52.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA2270115
Name:
1-chloro-2-(4-nitrophenoxy)benzeneCas Number:
2091-61-4Mol. Formula:
C12H8ClNO3M.W.:
249.65Type:
Small moleculeAlogP:
4.04Polar Surface Area:
52.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
3.39Polar Surface Area:
52.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS
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