Molecule

ID:111723

General Information
Structure
MolImage
Molecular Formula
C₆H₆BO
Molecular Mass
104.92224
Exact Mass
105.05117021
Charge
0
InChI
InChI=1S/C6H5BO/c8-7-6-4-2-1-3-5-6/h1-5H
InChIKey
GQQNLYRKZFBFEN-UHFFFAOYSA-N
Canonic Smiles
O=[BH]c1ccccc1
Isomeric Smiles
O=[BH]c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3508
LogD (pH = 7.4)
2.3508
Log P
2.3508
Molar Refractivity
26.9172
Polarizability
12.140248
Polar Surface Area
17.07
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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