Molecule

ID:64070

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁BO₂
Molecular Mass
198.02554
Exact Mass
198.08520999
Charge
0
InChI
InChI=1S/C12H11BO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,14-15H
InChIKey
GOXICVKOZJFRMB-UHFFFAOYSA-N
Canonic Smiles
OB(c1cccc(c1)c1ccccc1)O
Isomeric Smiles
B(c1cc(c2ccccc2)ccc1)(O)O
Calculated Properties
JChem
Acid pKa
8.713302
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.3239357
LogD (pH = 7.4)
3.303697
Log P
3.3242
Molar Refractivity
55.7397
Polarizability
24.57612
Polar Surface Area
40.46
Rotatable Bonds
2
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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