Molecule

ID:64757

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClN₂O₂S
Molecular Mass
192.6234
Exact Mass
191.97602609
Charge
0
InChI
InChI=1S/C5H5ClN2O2S/c1-10-4(9)2-3(6)11-5(7)8-2/h1H3,(H2,7,8)
InChIKey
DSKPRYNHCJJKAE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1nc(sc1Cl)N
Isomeric Smiles
s1c(c(nc1N)C(=O)OC)Cl
Calculated Properties
JChem
Acid pKa
15.934794
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4467038
LogD (pH = 7.4)
1.4467303
Log P
1.4467306
Molar Refractivity
41.0581
Polarizability
15.886229
Polar Surface Area
65.21
Rotatable Bonds
2
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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