Molecule

ID:9896

General Information
Structure
Molecular Formula
C₅H₅BO₄
Molecular Mass
139.9018
Exact Mass
140.02808904
Charge
0
InChI
InChI=1S/C5H5BO4/c7-3-4-1-2-10-5(4)6(8)9/h1-3,8-9H
InChIKey
JUZCSXHYOWVCHI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccoc1B(O)O
Isomeric Smiles
o1c(c(cc1)C=O)B(O)O
Calculated Properties
JChem
Acid pKa
7.225076
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.43413964
LogD (pH = 7.4)
0.043784402
Log P
0.4422
Molar Refractivity
28.9542
Polarizability
12.414161
Polar Surface Area
70.67
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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