Molecule

ID:76470

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈O₂
Molecular Mass
196.20142
Exact Mass
196.0524295
Charge
0
InChI
InChI=1S/C13H8O2/c14-13(15)8-5-6-11-9-3-1-2-4-10(9)12(11)7-8/h1-7H,(H,14,15)
InChIKey
ZREZLKUCHWESDU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)c1c2cccc1
Isomeric Smiles
OC(=O)c1cc2c(cc1)c1ccccc21
Calculated Properties
JChem
Acid pKa
3.994278
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4370575
LogD (pH = 7.4)
-0.21030916
Log P
2.9520335
Molar Refractivity
57.5286
Polarizability
24.332064
Polar Surface Area
37.3
Rotatable Bonds
1
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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