Molecule

ID:107271

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₂
Molecular Mass
226.27046
Exact Mass
226.09937969
Charge
0
InChI
InChI=1S/C15H14O2/c1-12-7-9-14(10-8-12)17-15(16)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey
OJEQSSJFSNLMLB-UHFFFAOYSA-N
Canonic Smiles
O=C(Cc1ccccc1)Oc1ccc(cc1)C
Isomeric Smiles
Cc1ccc(OC(=O)Cc2ccccc2)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.928268
LogD (pH = 7.4)
3.928268
Log P
3.928268
Molar Refractivity
66.9535
Polarizability
26.126131
Polar Surface Area
26.3
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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