Molecule

ID:22312

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₂
Molecular Mass
226.27046
Exact Mass
226.09937969
Charge
0
InChI
InChI=1S/C15H14O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h3-10H,1-2H3/b4-3+
InChIKey
ODKROFHKPKRFPM-ONEGZZNKSA-N
Canonic Smiles
COc1ccc2c(c1)ccc(c2)/C=C/C(=O)C
Isomeric Smiles
CC(=O)/C=C/c1cc2c(cc1)cc(cc2)OC
Calculated Properties
JChem
Acid pKa
19.683973
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2975173
LogD (pH = 7.4)
3.2975173
Log P
3.2975173
Molar Refractivity
69.5244
Polarizability
27.689798
Polar Surface Area
26.3
Rotatable Bonds
3
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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