Molecule

ID:80579

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClNS₂
Molecular Mass
215.72294
Exact Mass
214.96301888
Charge
0
InChI
InChI=1S/C8H6ClNS2/c9-4-6-5-12-8(10-6)7-2-1-3-11-7/h1-3,5H,4H2
InChIKey
CGJJBHKYGNSTDK-UHFFFAOYSA-N
Canonic Smiles
ClCc1csc(n1)c1cccs1
Isomeric Smiles
n1c(c2cccs2)scc1CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.102645
LogD (pH = 7.4)
3.1026704
Log P
3.102671
Molar Refractivity
62.6026
Polarizability
20.749998
Polar Surface Area
12.89
Rotatable Bonds
2
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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