Molecule

ID:75937

General Information
Structure
MolImage
Molecular Formula
C₉H₅ClOS
Molecular Mass
196.6534
Exact Mass
195.97496346
Charge
0
InChI
InChI=1S/C9H5ClOS/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-5H
InChIKey
JILFWFGWWHGBHQ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cccc2c1scc2
Isomeric Smiles
s1ccc2c1c(ccc2)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.040183
LogD (pH = 7.4)
3.040183
Log P
3.040183
Molar Refractivity
50.5128
Polarizability
20.240843
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
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Molecule Details
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References
Bioactivity
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