Molecule

ID:92658

General Information
Structure
MolImage
Molecular Formula
C₉H₉BClNO₂
Molecular Mass
209.43726
Exact Mass
209.04148661
Charge
0
InChI
InChI=1S/C9H8BNO2.ClH/c12-10(13)9-3-1-2-7-6-11-5-4-8(7)9;/h1-6,12-13H;1H
InChIKey
BCHKZJGKVPKAJO-UHFFFAOYSA-N
Canonic Smiles
OB(c1cccc2c1ccnc2)O.Cl
Isomeric Smiles
n1cc2cccc(c2cc1)B(O)O.Cl
Calculated Properties
JChem
Acid pKa
8.615448
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.305292
LogD (pH = 7.4)
1.3042399
Log P
1.3301
Molar Refractivity
44.8968
Polarizability
20.173021
Polar Surface Area
53.35
Rotatable Bonds
1
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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