Molecule

ID:53264

General Information
Structure
Molecular Formula
C₆H₉ClN₂S₂
Molecular Mass
208.73206
Exact Mass
207.98956798
Charge
0
InChI
InChI=1S/C6H9ClN2S2/c1-4(2)3-10-6-8-5(7)9-11-6/h4H,3H2,1-2H3
InChIKey
HKXVGPWGOKSLGG-UHFFFAOYSA-N
Canonic Smiles
CC(CSc1snc(n1)Cl)C
Isomeric Smiles
c1(nc(ns1)Cl)SCC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6945872
LogD (pH = 7.4)
3.6945872
Log P
3.6945872
Molar Refractivity
52.6039
Polarizability
19.77608
Polar Surface Area
25.78
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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