Molecule

ID:40263

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₂
Molecular Mass
226.27046
Exact Mass
226.09937969
Charge
0
InChI
InChI=1S/C15H14O2/c1-11-7-12(2)9-14(8-11)17-15-6-4-3-5-13(15)10-16/h3-10H,1-2H3
InChIKey
SZCIXTZUAFRBSJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1Oc1cc(C)cc(c1)C
Isomeric Smiles
c1(Oc2c(C=O)cccc2)cc(cc(c1)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.212878
LogD (pH = 7.4)
4.212878
Log P
4.212878
Molar Refractivity
68.9652
Polarizability
26.093845
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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