Molecule

ID:32913

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁BO₂
Molecular Mass
222.04694
Exact Mass
222.08520999
Charge
0
InChI
InChI=1S/C14H11BO2/c16-15(17)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,16-17H
InChIKey
JCDAUYWOHOLVMH-UHFFFAOYSA-N
Canonic Smiles
OB(c1cc2ccccc2c2c1cccc2)O
Isomeric Smiles
c1cccc2c3ccccc3c(cc12)B(O)O
Calculated Properties
JChem
Acid pKa
8.553418
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.6438181
LogD (pH = 7.4)
3.6148736
Log P
3.6442
Molar Refractivity
63.5039
Polarizability
28.757895
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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