Molecule

ID:75531

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClN₄
Molecular Mass
194.62098
Exact Mass
194.03592392
Charge
0
InChI
InChI=1S/C8H7ClN4/c1-6-4-13(5-10-6)8-3-2-7(9)11-12-8/h2-5H,1H3
InChIKey
JJZBGBUKRGBVTD-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(nn1)n1cnc(c1)C
Isomeric Smiles
n1cn(c2ccc(nn2)Cl)cc1C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.29599258
LogD (pH = 7.4)
0.35395348
Log P
0.3764
Molar Refractivity
62.4839
Polarizability
18.711473
Polar Surface Area
43.6
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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