Molecule

ID:69669

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃BO₂
Molecular Mass
248.08422
Exact Mass
248.10086006
Charge
0
InChI
InChI=1S/C16H13BO2/c18-17(19)14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,18-19H
InChIKey
BQHVXFQXTOIMQM-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccc(cc1)c1cccc2c1cccc2)O
Isomeric Smiles
c1(ccc(cc1)c1cccc2ccccc12)B(O)O
Calculated Properties
JChem
Acid pKa
8.745694
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.3261547
LogD (pH = 7.4)
4.3073387
Log P
4.3264
Molar Refractivity
72.1899
Polarizability
32.218784
Polar Surface Area
40.46
Rotatable Bonds
2
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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