Molecule

ID:25950

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₂
Molecular Mass
226.27046
Exact Mass
226.09937969
Charge
0
InChI
InChI=1S/C15H14O2/c1-12-5-4-6-13(9-12)11-17-15-8-3-2-7-14(15)10-16/h2-10H,11H2,1H3
InChIKey
QASXPGKWGYAJHN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1OCc1cccc(c1)C
Isomeric Smiles
c1(c(OCc2cc(ccc2)C)cccc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7659714
LogD (pH = 7.4)
3.7659714
Log P
3.7659714
Molar Refractivity
68.759
Polarizability
26.110004
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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