Molecule

ID:60815

General Information
Structure
MolImage
Molecular Formula
C₈H₈ClNOS
Molecular Mass
201.67322
Exact Mass
201.00151256
Charge
0
InChI
InChI=1S/C8H8ClNOS/c9-6-3-1-2-4-7(6)10-8(11)5-12/h1-4,12H,5H2,(H,10,11)
InChIKey
YWEROQPLZVORDW-UHFFFAOYSA-N
Canonic Smiles
SCC(=O)Nc1ccccc1Cl
Isomeric Smiles
N(c1c(Cl)cccc1)C(=O)CS
Calculated Properties
JChem
Acid pKa
9.446733
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
2.0415208
LogD (pH = 7.4)
2.037964
Log P
2.0415664
Molar Refractivity
53.555
Polarizability
20.160753
Polar Surface Area
29.1
Rotatable Bonds
2
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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