Molecule

ID:111002

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₂
Molecular Mass
224.25458
Exact Mass
224.08372962
Charge
0
InChI
InChI=1S/C15H12O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H,16,17)
InChIKey
BIDDLDNGQCUOJQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)/C(=C/c1ccccc1)/c1ccccc1
Isomeric Smiles
OC(=O)/C(=C/c1ccccc1)/c1ccccc1
Calculated Properties
JChem
Acid pKa
4.2405453
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5237832
LogD (pH = 7.4)
0.79871064
Log P
3.804174
Molar Refractivity
67.512
Polarizability
25.871016
Polar Surface Area
37.3
Rotatable Bonds
3
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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