Molecule
ID:16074
General Information
Molecular Formula
C₁₂H₁₂N₂O₂
Molecular Mass
216.23588
Exact Mass
216.08987763
Charge
0
InChI
InChI=1S/C12H12N2O2/c1-8-10(7-15)9-4-2-3-5-11(9)14(8)6-12(13)16/h2-5,7H,6H2,1H3,(H2,13,16)
InChIKey
YPMNUMFCLRBFHC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)n(c2c1cccc2)CC(=O)N
Isomeric Smiles
n1(c(c(c2c1cccc2)C=O)C)CC(=O)N
Calculated Properties
JChem
Acid pKa
15.996967
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.87878823
LogD (pH = 7.4)
0.87878823
Log P
0.87878823
Molar Refractivity
61.6817
Polarizability
24.084003
Polar Surface Area
65.09
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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