Molecule

ID:54767

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-7(12)11-6-10(13)8-4-2-3-5-9(8)11/h2-5H,6H2,1H3
InChIKey
AUMJJQZNOVOCGY-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CC(=O)c2c1cccc2
Isomeric Smiles
c1ccc2c(c1)C(=O)CN2C(=O)C
Calculated Properties
JChem
Acid pKa
7.7906613
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.33178356
LogD (pH = 7.4)
0.1860199
Log P
0.3339988
Molar Refractivity
47.8806
Polarizability
18.21815
Polar Surface Area
37.38
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
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References
Bioactivity
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