Molecule

ID:64698

General Information
Structure
MolImage
Molecular Formula
C₈H₃ClN₂S
Molecular Mass
194.64082
Exact Mass
193.97054679
Charge
0
InChI
InChI=1S/C8H3ClN2S/c9-7-5(3-10)4-11-6-1-2-12-8(6)7/h1-2,4H
InChIKey
PQNQDMVDUXLEQW-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnc2c(c1Cl)scc2
Isomeric Smiles
n1cc(c(c2sccc12)Cl)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4775891
LogD (pH = 7.4)
2.4775894
Log P
2.4775894
Molar Refractivity
47.3956
Polarizability
19.350676
Polar Surface Area
36.68
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
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References
Bioactivity
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