Molecule

ID:108236

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈O₂
Molecular Mass
196.20142
Exact Mass
196.0524295
Charge
0
InChI
InChI=1S/C13H8O2/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7,14H
InChIKey
GXUBPHMYNSICJC-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)C(=O)c1c2cccc1
Isomeric Smiles
Oc1ccc2c3ccccc3C(=O)c2c1
Calculated Properties
JChem
Acid pKa
8.75546
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8027735
LogD (pH = 7.4)
2.7843919
Log P
2.803013
Molar Refractivity
57.6926
Polarizability
23.25482
Polar Surface Area
37.3
Rotatable Bonds
0
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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