Molecule

ID:8353

General Information
Structure
Molecular Formula
C₇H₇BO₃
Molecular Mass
149.93968
Exact Mass
150.04882448
Charge
0
InChI
InChI=1S/C7H7BO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5,10-11H
InChIKey
DGUWACLYDSWXRZ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1B(O)O
Isomeric Smiles
c1ccc(c(c1)B(O)O)C=O
Calculated Properties
JChem
Acid pKa
8.368991
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.3147163
LogD (pH = 7.4)
1.2712183
Log P
1.3153
Molar Refractivity
37.1875
Polarizability
15.433592
Polar Surface Area
57.53
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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