Molecule

ID:79019

General Information
Structure
Molecular Formula
C₅H₇ClN₂O₂S
Molecular Mass
194.63928
Exact Mass
193.99167615
Charge
0
InChI
InChI=1S/C5H7ClN2O2S/c1-4-7-3-5(8(4)2)11(6,9)10/h3H,1-2H3
InChIKey
HAULHCBIEFNHJS-UHFFFAOYSA-N
Canonic Smiles
Cc1ncc(n1C)S(=O)(=O)Cl
Isomeric Smiles
n1c(C)n(C)c(c1)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.22008374
LogD (pH = 7.4)
0.23689127
Log P
0.23711063
Molar Refractivity
41.7977
Polarizability
16.882494
Polar Surface Area
51.96
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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