Molecule

ID:75392

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₂
Molecular Mass
226.27046
Exact Mass
226.09937969
Charge
0
InChI
InChI=1S/C15H14O2/c1-17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,15H,1H3
InChIKey
BQZJOQXSCSZQPS-UHFFFAOYSA-N
Canonic Smiles
COC(C(=O)c1ccccc1)c1ccccc1
Isomeric Smiles
O=C(c1ccccc1)C(c1ccccc1)OC
Calculated Properties
JChem
Acid pKa
16.15918
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2932012
LogD (pH = 7.4)
3.2932012
Log P
3.2932012
Molar Refractivity
67.2721
Polarizability
26.200123
Polar Surface Area
26.3
Rotatable Bonds
4
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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