Molecule

ID:104503

General Information
Structure
MolImage
Molecular Formula
C₉H₈O₂
Molecular Mass
148.15862
Exact Mass
148.0524295
Charge
0
InChI
InChI=1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey
BVQVLAIMHVDZEL-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)C(=O)C
Isomeric Smiles
CC(=O)C(=O)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
1.82
LogD (pH = 5.5)
1.82
Log P
1.82
Rotatable Bonds
2
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
16.92
Polar Surface Area
34.14
Polarizability
15.23
Molar Refractivity
41.81
LOG S
-2.18
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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