ALA2333962Name:
isopropyl 4-hydroxybenzoateCas Number:
4191-73-5Mol. Formula:
C10H12O3M.W.:
180.20Type:
Small moleculeAlogP:
1.96Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.71DETAILS
ALA2252255Name:
methyl 3-chloro-4-methoxybenzoateCas Number:
37908-98-8Mol. Formula:
C9H9ClO3M.W.:
200.62Type:
Small moleculeAlogP:
2.14Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.69DETAILS
ALA2252254Name:
methyl 2,6-dimethoxybenzoateCas Number:
2065-27-2Mol. Formula:
C10H12O4M.W.:
196.20Type:
Small moleculeAlogP:
1.49Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS
ALA2252253Name:
methyl 2,5-dimethoxybenzoateCas Number:
2150-40-5Mol. Formula:
C10H12O4M.W.:
196.20Type:
Small moleculeAlogP:
1.49Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS
ALA2252252Name:
methyl 2,4,6-trimethoxybenzoateCas Number:
29723-28-2Mol. Formula:
C11H14O5M.W.:
226.23Type:
Small moleculeAlogP:
1.50Polar Surface Area:
53.99HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS- ALA2252251
Name:
methyl 2,4-dimethoxybenzoateCas Number:
2150-41-6Mol. Formula:
C10H12O4M.W.:
196.20Type:
Small moleculeAlogP:
1.49Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA2252250
Name:
methyl 4-hydroxy-2-methoxybenzoateCas Number:
28478-46-8Mol. Formula:
C9H10O4M.W.:
182.18Type:
Small moleculeAlogP:
1.19Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA2252249
Name:
methyl 3-hydroxy-2-methoxybenzoateCas Number:
2169-25-7Mol. Formula:
C9H10O4M.W.:
182.18Type:
Small moleculeAlogP:
1.19Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA2252248
Name:
methyl 2-hydroxy-6-methoxybenzoateCas Number:
22833-69-8Mol. Formula:
C9H10O4M.W.:
182.18Type:
Small moleculeAlogP:
1.19Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA2252247
Name:
methyl 2-hydroxy-5-methoxybenzoateCas Number:
2905-82-0Mol. Formula:
C9H10O4M.W.:
182.18Type:
Small moleculeAlogP:
1.19Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA2252246
Name:
methyl 2-hydroxy-3-methoxybenzoateCas Number:
6342-70-7Mol. Formula:
C9H10O4M.W.:
182.18Type:
Small moleculeAlogP:
1.19Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
2.42Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
2.27Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA2252128
Name:
methyl 3,5-dibromobenzoateCas Number:
51329-15-8Mol. Formula:
C8H6Br2O2M.W.:
293.94Type:
Small moleculeAlogP:
3.00Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.74DETAILS - ALA2252127
Name:
methyl 3,5-dinitrobenzoateCas Number:
2702-58-1Mol. Formula:
C8H6N2O6M.W.:
226.14Type:
Small moleculeAlogP:
1.29Polar Surface Area:
112.58HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
1.48Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.62DETAILS - ALA2252125
Name:
methyl 3-hydroxy-4-methoxybenzoateCas Number:
6702-50-7Mol. Formula:
C9H10O4M.W.:
182.18Type:
Small moleculeAlogP:
1.19Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA2252124
Name:
methyl 5-hydroxy-2-methoxybenzoateCas Number:
87513-63-1Mol. Formula:
C9H10O4M.W.:
182.18Type:
Small moleculeAlogP:
1.19Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA2252123
Name:
methyl 2,3,4-trimethoxybenzoateCas Number:
6395-18-2Mol. Formula:
C11H14O5M.W.:
226.23Type:
Small moleculeAlogP:
1.50Polar Surface Area:
53.99HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA2252122
Name:
methyl 2,3-dimethoxybenzoateCas Number:
2150-42-7Mol. Formula:
C10H12O4M.W.:
196.20Type:
Small moleculeAlogP:
1.49Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS
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