Molecule

ID:86847

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉Cl₂N₃O
Molecular Mass
282.12536
Exact Mass
281.01226728
Charge
0
InChI
InChI=1S/C12H9Cl2N3O/c13-8-6-10(11(14)15-7-8)12(18)17-16-9-4-2-1-3-5-9/h1-7,16H,(H,17,18)
InChIKey
PXBNARYNQKCXSK-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc(c(c1)C(=O)NNc1ccccc1)Cl
Isomeric Smiles
n1c(c(cc(c1)Cl)C(=O)NNc1ccccc1)Cl
Calculated Properties
JChem
Acid pKa
11.406898
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.1366827
LogD (pH = 7.4)
3.1366453
Log P
3.1366832
Molar Refractivity
73.331
Polarizability
26.889664
Polar Surface Area
54.02
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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