Molecule

ID:15450

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₂
Molecular Mass
226.27046
Exact Mass
226.09937969
Charge
0
InChI
InChI=1S/C15H14O2/c1-17-15-8-7-13(10-14(15)11-16)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3
InChIKey
IGTMQLWQYZVDHH-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(ccc1OC)Cc1ccccc1
Isomeric Smiles
c1(c(ccc(c1)Cc1ccccc1)OC)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.619871
LogD (pH = 7.4)
3.619871
Log P
3.619871
Molar Refractivity
68.8424
Polarizability
26.112707
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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