Molecule

ID:114913

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂ClN₃O₂
Molecular Mass
253.68488
Exact Mass
253.06180432
Charge
0
InChI
InChI=1S/C11H12ClN3O2/c1-4-6-5-13-9-7(8(6)12)10(16)15(3)11(17)14(9)2/h5H,4H2,1-3H3
InChIKey
RLJBUWFQNDOBNE-UHFFFAOYSA-N
Canonic Smiles
CCc1cnc2c(c1Cl)c(=O)n(c(=O)n2C)C
Isomeric Smiles
n1(c(=O)n(c2c(c1=O)c(c(cn2)CC)Cl)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7735013
LogD (pH = 7.4)
1.7735094
Log P
1.7735095
Molar Refractivity
64.3923
Polarizability
23.863699
Polar Surface Area
53.51
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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