Molecule

ID:33213

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂ClN₃O₂
Molecular Mass
289.71698
Exact Mass
289.06180432
Charge
0
InChI
InChI=1S/C14H12ClN3O2/c15-12-4-2-1-3-11(12)14(20)17-10-7-5-9(6-8-10)13(19)18-16/h1-8H,16H2,(H,17,20)(H,18,19)
InChIKey
YRCWGYXRHUCTBH-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(cc1)NC(=O)c1ccccc1Cl
Isomeric Smiles
C(=O)(c1c(Cl)cccc1)Nc1ccc(C(=O)NN)cc1
Calculated Properties
JChem
Acid pKa
10.919025
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
2.2224426
LogD (pH = 7.4)
2.2232037
Log P
2.2233398
Molar Refractivity
79.9588
Polarizability
29.100945
Polar Surface Area
84.22
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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