Molecule

ID:53989

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClN₂O₂S
Molecular Mass
192.6234
Exact Mass
191.97602609
Charge
0
InChI
InChI=1S/C5H5ClN2O2S/c6-5-4(11(7,9)10)2-1-3-8-5/h1-3H,(H2,7,9,10)
InChIKey
GUYJBKABCVQXFR-UHFFFAOYSA-N
Canonic Smiles
Clc1ncccc1S(=O)(=O)N
Isomeric Smiles
S(=O)(=O)(c1c(nccc1)Cl)N
Calculated Properties
JChem
Acid pKa
8.517893
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.18545696
LogD (pH = 7.4)
0.15768121
Log P
0.18582602
Molar Refractivity
41.9251
Polarizability
16.817244
Polar Surface Area
73.05
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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