Molecule

ID:30738

General Information
Structure
MolImage
Molecular Formula
C₅H₄ClNO₂S
Molecular Mass
177.60876
Exact Mass
176.96512705
Charge
0
InChI
InChI=1S/C5H4ClNO2S/c6-10(8,9)5-2-1-3-7-4-5/h1-4H
InChIKey
CDRNYKLYADJTMN-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1cccnc1
Isomeric Smiles
S(=O)(=O)(c1cnccc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.70187306
LogD (pH = 7.4)
0.7018764
Log P
0.7018764
Molar Refractivity
38.0953
Polarizability
15.574764
Polar Surface Area
47.03
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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