Molecule

ID:67104

General Information
Structure
MolImage
Molecular Formula
C₈H₃ClN₂S
Molecular Mass
194.64082
Exact Mass
193.97054679
Charge
0
InChI
InChI=1S/C8H3ClN2S/c9-8-11-6-2-1-5(4-10)3-7(6)12-8/h1-3H
InChIKey
DHBTVASVKVLZBJ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc2c(c1)sc(n2)Cl
Isomeric Smiles
s1c(nc2c1cc(cc2)C#N)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.883581
LogD (pH = 7.4)
2.8835824
Log P
2.8835824
Molar Refractivity
47.8762
Polarizability
19.447826
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
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Molecule Details
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References
Bioactivity
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