Molecule

ID:119742

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O₂
Molecular Mass
218.25176
Exact Mass
218.1055277
Charge
0
InChI
InChI=1S/C12H14N2O2/c1-7(2)10-12(16)13-9-6-4-3-5-8(9)11(15)14-10/h3-7,10H,1-2H3,(H,13,16)(H,14,15)
InChIKey
UDZUQLATAJECJW-UHFFFAOYSA-N
Canonic Smiles
CC(C1NC(=O)c2c(NC1=O)cccc2)C
Isomeric Smiles
N1C(=O)c2c(NC(=O)C1C(C)C)cccc2
Calculated Properties
JChem
Acid pKa
12.024944
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.0928607
LogD (pH = 7.4)
2.0928512
Log P
2.092861
Molar Refractivity
61.8265
Polarizability
22.846848
Polar Surface Area
58.2
Rotatable Bonds
1
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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