Molecule

ID:9898

General Information
Structure
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Molecular Formula
C₅H₅BO₄
Molecular Mass
139.9018
Exact Mass
140.02808904
Charge
0
InChI
InChI=1S/C5H5BO4/c7-3-4-1-2-5(10-4)6(8)9/h1-3,8-9H
InChIKey
JUWYQISLQJRRNT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)B(O)O
Isomeric Smiles
c1cc(oc1B(O)O)C=O
Calculated Properties
JChem
Acid pKa
7.4677153
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.20177191
LogD (pH = 7.4)
-0.06176674
Log P
0.2064
Molar Refractivity
28.8317
Polarizability
12.41567
Polar Surface Area
70.67
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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