Molecule

ID:64664

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClN₂S
Molecular Mass
170.61942
Exact Mass
169.97054679
Charge
0
InChI
InChI=1S/C6H3ClN2S/c7-5-4-1-2-10-6(4)9-3-8-5/h1-3H
InChIKey
NZCRUBBNZGVREM-UHFFFAOYSA-N
Canonic Smiles
Clc1ncnc2c1ccs2
Isomeric Smiles
c12c(ncnc1Cl)scc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1174424
LogD (pH = 7.4)
2.117444
Log P
2.1174443
Molar Refractivity
41.8811
Polarizability
16.041962
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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