Molecule

ID:133979

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂O₂
Molecular Mass
200.23318
Exact Mass
200.08372962
Charge
0
InChI
InChI=1S/C13H12O2/c1-2-13(14)15-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3
InChIKey
FRXPDEZCWCPLIH-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)Oc1cccc2c1cccc2
Isomeric Smiles
CCC(=O)Oc1cccc2c1cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2705195
LogD (pH = 7.4)
3.2705195
Log P
3.2705195
Molar Refractivity
58.2675
Polarizability
24.151617
Polar Surface Area
26.3
Rotatable Bonds
3
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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