Molecule

ID:89574

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₂
Molecular Mass
212.24388
Exact Mass
212.08372962
Charge
0
InChI
InChI=1S/C14H12O2/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
InChIKey
FESDHLLVLYZNFY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1Cc1ccccc1
Isomeric Smiles
OC(=O)c1c(cccc1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
3.8276143
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0470936
LogD (pH = 7.4)
0.47313985
Log P
3.7226226
Molar Refractivity
63.0514
Polarizability
24.014896
Polar Surface Area
37.3
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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