Molecule

ID:111343

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁NO₂
Molecular Mass
237.25334
Exact Mass
237.0789786
Charge
0
InChI
InChI=1S/C15H11NO2/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15(16)18/h2-9H,1H3
InChIKey
KPYGHQALDAITMY-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1N1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
Cc1ccccc1N1C(=O)c2ccccc2C1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0884788
LogD (pH = 7.4)
3.088479
Log P
3.088479
Molar Refractivity
69.0303
Polarizability
25.852798
Polar Surface Area
37.38
Rotatable Bonds
1
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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