Molecule

ID:87897

General Information
Structure
MolImage
Molecular Formula
C₅H₅BO₄
Molecular Mass
139.9018
Exact Mass
140.02808904
Charge
0
InChI
InChI=1S/C5H5BO4/c7-2-5-1-4(3-10-5)6(8)9/h1-3,8-9H
InChIKey
RIBSTTPRQPAXRS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1occ(c1)B(O)O
Isomeric Smiles
o1c(cc(c1)B(O)O)C=O
Calculated Properties
JChem
Acid pKa
8.053243
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.26249337
LogD (pH = 7.4)
0.17695029
Log P
0.2637
Molar Refractivity
29.5784
Polarizability
12.413623
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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