Molecule

ID:59538

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆N₂O₂
Molecular Mass
232.27834
Exact Mass
232.12117776
Charge
0
InChI
InChI=1S/C13H16N2O2/c1-3-8(2)11-13(17)14-10-7-5-4-6-9(10)12(16)15-11/h4-8,11H,3H2,1-2H3,(H,14,17)(H,15,16)/t8-,11-/m0/s1
InChIKey
VKZICKDDJSFAAG-KWQFWETISA-N
Canonic Smiles
CC[C@@H]([C@@H]1NC(=O)c2c(NC1=O)cccc2)C
Isomeric Smiles
N1C(=O)c2c(NC(=O)[C@@H]1[C@H](CC)C)cccc2
Calculated Properties
JChem
Acid pKa
12.024655
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.5374296
LogD (pH = 7.4)
2.5374198
Log P
2.5374298
Molar Refractivity
66.4275
Polarizability
24.683807
Polar Surface Area
58.2
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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