Molecule

ID:68154

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClN₂O₂S
Molecular Mass
192.6234
Exact Mass
191.97602609
Charge
0
InChI
InChI=1S/C5H5ClN2O2S/c1-2-10-4(9)3-7-8-5(6)11-3/h2H2,1H3
InChIKey
YQWCUJDSRXQJRN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nnc(s1)Cl
Isomeric Smiles
s1c(nnc1Cl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2001361
LogD (pH = 7.4)
1.2001361
Log P
1.2001361
Molar Refractivity
42.6662
Polarizability
15.814843
Polar Surface Area
52.08
Rotatable Bonds
3
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
No Data Available
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Molecule Details
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References
Bioactivity
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