Molecule

ID:42799

General Information
Structure
MolImage
Molecular Formula
C₉H₅ClOS
Molecular Mass
196.6534
Exact Mass
195.97496346
Charge
0
InChI
InChI=1S/C9H5ClOS/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-5H
InChIKey
NSKSTUZQSQFGOH-UHFFFAOYSA-N
Canonic Smiles
O=Cc1sc2c(c1)c(Cl)ccc2
Isomeric Smiles
c12c(sc(c1)C=O)cccc2Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.298257
LogD (pH = 7.4)
3.298257
Log P
3.298257
Molar Refractivity
50.571
Polarizability
20.27704
Polar Surface Area
17.07
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
No Data Available
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Molecule Details
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References
Bioactivity
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