Molecule

ID:111390

General Information
Structure
MolImage
Molecular Formula
C₉H₆O₂
Molecular Mass
146.14274
Exact Mass
146.03677943
Charge
0
InChI
InChI=1S/C9H6O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4H,5H2
InChIKey
WFFZGYRTVIPBFN-UHFFFAOYSA-N
Canonic Smiles
O=C1C(=O)Cc2c1cccc2
Isomeric Smiles
O=C1Cc2ccccc2C1=O
Calculated Properties
JChem
Acid pKa
11.253506
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6812062
LogD (pH = 7.4)
1.6811461
Log P
1.6812071
Molar Refractivity
40.4707
Polarizability
15.241112
Polar Surface Area
34.14
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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