Molecule

ID:103308

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClN₄
Molecular Mass
196.63686
Exact Mass
196.05157399
Charge
0
InChI
InChI=1S/C8H8N4.ClH/c9-11-8-7-4-2-1-3-6(7)5-10-12-8;/h1-5,7H,9H2;1H
InChIKey
SECXUXOCDLQOBI-UHFFFAOYSA-N
Canonic Smiles
N/N=C\1/N=NC=C2C1C=CC=C2.Cl
Isomeric Smiles
Cl.N/N=C\1/N=NC=C2C=CC=CC12
Calculated Properties
JChem
Acid pKa
19.599264
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.017655293
LogD (pH = 7.4)
0.017655833
Log P
0.017655838
Molar Refractivity
49.4817
Polarizability
17.13262
Polar Surface Area
63.1
Rotatable Bonds
0
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
No Data Available
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Molecule Details
References
Bioactivity
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