Molecule

ID:109881

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₂
Molecular Mass
212.24388
Exact Mass
212.08372962
Charge
0
InChI
InChI=1S/C14H12O2/c1-11(15)16-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey
MISFQCBPASYYGV-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1ccc(cc1)c1ccccc1
Isomeric Smiles
CC(=O)Oc1ccc(cc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2277322
LogD (pH = 7.4)
3.2277322
Log P
3.2277322
Molar Refractivity
62.3266
Polarizability
25.761568
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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