Molecule

ID:65873

General Information
Structure
MolImage
Molecular Formula
C₈H₃ClN₂S
Molecular Mass
194.64082
Exact Mass
193.97054679
Charge
0
InChI
InChI=1S/C8H3ClN2S/c9-8-6-1-2-12-7(6)5(3-10)4-11-8/h1-2,4H
InChIKey
YTWUPNCUALHOMQ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnc(c2c1scc2)Cl
Isomeric Smiles
c12c(c(ncc1C#N)Cl)ccs2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.311916
LogD (pH = 7.4)
2.311916
Log P
2.311916
Molar Refractivity
48.8289
Polarizability
19.38955
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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