Molecule

ID:77842

General Information
Structure
MolImage
Molecular Formula
C₉H₈O₃
Molecular Mass
164.15802
Exact Mass
164.04734412
Charge
0
InChI
InChI=1S/C9H8O3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3,(H,11,12)
InChIKey
QDAWXRKTSATEOP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1C(=O)C
Isomeric Smiles
OC(=O)c1ccccc1C(=O)C
Calculated Properties
JChem
Acid pKa
4.123574
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.20278826
LogD (pH = 7.4)
-1.895496
Log P
1.1884762
Molar Refractivity
43.717
Polarizability
16.412193
Polar Surface Area
54.37
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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