Molecule

ID:80558

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClN₂OS
Molecular Mass
198.62952
Exact Mass
197.96546141
Charge
0
InChI
InChI=1S/C7H3ClN2OS/c8-7(11)4-1-2-5-6(3-4)10-12-9-5/h1-3H
InChIKey
STVKFABXTFREFG-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc2c(c1)nsn2
Isomeric Smiles
s1nc2c(n1)ccc(c2)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3077874
LogD (pH = 7.4)
2.3077874
Log P
2.3077874
Molar Refractivity
47.6551
Polarizability
18.591429
Polar Surface Area
42.85
Rotatable Bonds
1
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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