Molecule

ID:91256

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄O₂
Molecular Mass
262.30256
Exact Mass
262.09937969
Charge
0
InChI
InChI=1S/C18H14O2/c1-12(2)18(19)20-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-11H,1H2,2H3
InChIKey
OZFRHFIPBWCCMP-UHFFFAOYSA-N
Canonic Smiles
CC(=C)C(=O)Oc1c2ccccc2cc2c1cccc2
Isomeric Smiles
O(c1c2c(cc3ccccc13)cccc2)C(=O)C(=C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.9446373
LogD (pH = 7.4)
4.9446373
Log P
4.9446373
Molar Refractivity
79.0956
Polarizability
33.395065
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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