Molecule

ID:107614

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₂
Molecular Mass
226.27046
Exact Mass
226.09937969
Charge
0
InChI
InChI=1S/C15H14O2/c16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,16,17)
InChIKey
BZQGAPWJKAYCHR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(c1ccccc1)c1ccccc1
Isomeric Smiles
OC(=O)CC(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.6930394
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.607301
LogD (pH = 7.4)
0.82945436
Log P
3.4763858
Molar Refractivity
66.6102
Polarizability
25.964933
Polar Surface Area
37.3
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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