Molecule

ID:7438

General Information
Structure
MolImage
Molecular Formula
C₅H₆BNO₂
Molecular Mass
122.91764
Exact Mass
123.04915884
Charge
0
InChI
InChI=1S/C5H6BNO2/c8-6(9)5-1-3-7-4-2-5/h1-4,8-9H
InChIKey
QLULGIRFKAWHOJ-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccncc1)O
Isomeric Smiles
c1cc(ccn1)B(O)O
Calculated Properties
JChem
Acid pKa
8.55551
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.3270008
LogD (pH = 7.4)
0.2987032
Log P
0.3279
Molar Refractivity
28.4466
Polarizability
12.641157
Polar Surface Area
53.35
Rotatable Bonds
1
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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