Molecule

ID:62151

General Information
Structure
MolImage
Molecular Formula
C₅H₇ClN₂O₂S
Molecular Mass
194.63928
Exact Mass
193.99167615
Charge
0
InChI
InChI=1S/C5H7ClN2O2S/c1-4-3-7-8(2)5(4)11(6,9)10/h3H,1-2H3
InChIKey
SAVUTYCQFZZSEI-UHFFFAOYSA-N
Canonic Smiles
Cc1cnn(c1S(=O)(=O)Cl)C
Isomeric Smiles
c1(S(=O)(=O)Cl)c(cnn1C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.9501201
LogD (pH = 7.4)
0.9501213
Log P
0.9501213
Molar Refractivity
53.4501
Polarizability
16.880255
Polar Surface Area
51.96
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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