Molecule

ID:33209

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂ClN₃O₂
Molecular Mass
289.71698
Exact Mass
289.06180432
Charge
0
InChI
InChI=1S/C14H12ClN3O2/c15-11-3-1-2-10(8-11)13(19)17-12-6-4-9(5-7-12)14(20)18-16/h1-8H,16H2,(H,17,19)(H,18,20)
InChIKey
YQIWMXBIDXHIHN-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(cc1)NC(=O)c1cccc(c1)Cl
Isomeric Smiles
C(=O)(Nc1ccc(C(=O)NN)cc1)c1cc(Cl)ccc1
Calculated Properties
JChem
Acid pKa
11.233997
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
2.2224433
LogD (pH = 7.4)
2.223268
Log P
2.2233398
Molar Refractivity
79.9588
Polarizability
29.084332
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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