Molecule

ID:53840

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁BO₂
Molecular Mass
222.04694
Exact Mass
222.08520999
Charge
0
InChI
InChI=1S/C14H11BO2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,16-17H
InChIKey
VHHDLIWHHXBLBK-UHFFFAOYSA-N
Canonic Smiles
OB(c1c2ccccc2cc2c1cccc2)O
Isomeric Smiles
c1ccc2c(c1)c(c1c(c2)cccc1)B(O)O
Calculated Properties
JChem
Acid pKa
8.4565
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.6437228
LogD (pH = 7.4)
3.6078389
Log P
3.6442
Molar Refractivity
63.5039
Polarizability
28.758017
Polar Surface Area
40.46
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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