Molecule

ID:22319

General Information
Structure
MolImage
Molecular Formula
C₈H₄ClNOS
Molecular Mass
197.64146
Exact Mass
196.97021243
Charge
0
InChI
InChI=1S/C8H4ClNOS/c9-7(11)8-10-5-3-1-2-4-6(5)12-8/h1-4H
InChIKey
AOIGQLLPWDXVGB-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1nc2c(s1)cccc2
Isomeric Smiles
C(=O)(c1sc2c(n1)cccc2)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6819289
LogD (pH = 7.4)
2.681929
Log P
2.681929
Molar Refractivity
47.7206
Polarizability
19.415043
Polar Surface Area
29.96
Rotatable Bonds
1
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
References
Bioactivity
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