Molecule

ID:15099

General Information
Structure
MolImage
Molecular Formula
C₉H₉NO₂
Molecular Mass
163.17326
Exact Mass
163.06332853
Charge
0
InChI
InChI=1S/C9H9NO2/c1-6(11)8-4-3-5-9(10-8)7(2)12/h3-5H,1-2H3
InChIKey
BEZVGIHGZPLGBL-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cccc(n1)C(=O)C
Isomeric Smiles
n1c(C(=O)C)cccc1C(=O)C
Calculated Properties
JChem
Acid pKa
14.545007
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.6425651
LogD (pH = 7.4)
0.642569
Log P
0.64256907
Molar Refractivity
43.9627
Polarizability
16.920113
Polar Surface Area
47.03
Rotatable Bonds
2
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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