Molecule

ID:9409

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₂
Molecular Mass
226.27046
Exact Mass
226.09937969
Charge
0
InChI
InChI=1S/C15H14O2/c1-12(16)14-7-9-15(10-8-14)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey
MKYMYZJJFMPDOA-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(cc1)OCc1ccccc1
Isomeric Smiles
C(Oc1ccc(cc1)C(=O)C)c1ccccc1
Calculated Properties
JChem
Acid pKa
16.271011
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
26.18597
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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