Molecule

ID:15456

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₂
Molecular Mass
226.27046
Exact Mass
226.09937969
Charge
0
InChI
InChI=1S/C15H14O2/c16-9-12-7-8-15(17-10-11-5-6-11)14-4-2-1-3-13(12)14/h1-4,7-9,11H,5-6,10H2
InChIKey
YBOBITDWGSKKFY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c2c1cccc2)OCC1CC1
Isomeric Smiles
c12c(c(ccc1OCC1CC1)C=O)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.298131
LogD (pH = 7.4)
3.298131
Log P
3.298131
Molar Refractivity
67.4974
Polarizability
27.09058
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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