Molecule

ID:87111

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₂
Molecular Mass
226.27046
Exact Mass
226.09937969
Charge
0
InChI
InChI=1S/C15H14O2/c1-12(16)14-8-5-9-15(10-14)17-11-13-6-3-2-4-7-13/h2-10H,11H2,1H3
InChIKey
FGQMEAWGAUALJQ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cccc(c1)OCc1ccccc1
Isomeric Smiles
O=C(c1cc(ccc1)OCc1ccccc1)C
Calculated Properties
JChem
Acid pKa
15.9515505
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.097695
LogD (pH = 7.4)
3.097695
Log P
3.097695
Molar Refractivity
67.5366
Polarizability
26.186588
Polar Surface Area
26.3
Rotatable Bonds
4
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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