Molecule

ID:85887

General Information
Structure
MolImage
Molecular Formula
C₆H₈ClNS₃
Molecular Mass
225.78242
Exact Mass
224.95073994
Charge
0
InChI
InChI=1S/C6H8ClNS3/c1-9-5-4(3-7)6(10-2)11-8-5/h3H2,1-2H3
InChIKey
FSLARRGGFVZUJW-UHFFFAOYSA-N
Canonic Smiles
ClCc1c(SC)snc1SC
Isomeric Smiles
n1c(c(c(s1)SC)CCl)SC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.546981
LogD (pH = 7.4)
3.546989
Log P
3.5469892
Molar Refractivity
56.8571
Polarizability
21.635845
Polar Surface Area
12.89
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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