Molecule

ID:72350

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆ClN₃O₂
Molecular Mass
293.74874
Exact Mass
293.09310445
Charge
0
InChI
InChI=1S/C14H16ClN3O2/c1-9(15)13(19)16-12-10(2)17(3)18(14(12)20)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,16,19)
InChIKey
MORLKTUKTJISOL-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Cl)C)Nc1c(C)n(n(c1=O)c1ccccc1)C
Isomeric Smiles
c1(c(=O)n(n(c1C)C)c1ccccc1)NC(=O)C(Cl)C
Calculated Properties
JChem
Acid pKa
12.293036
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2599212
LogD (pH = 7.4)
1.2599163
Log P
1.2599212
Molar Refractivity
78.7326
Polarizability
29.489323
Polar Surface Area
52.65
Rotatable Bonds
3
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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