Molecule
ID:69129
General Information
Molecular Formula
C₅H₅ClN₂O₂S
Molecular Mass
192.6234
Exact Mass
191.97602609
Charge
0
InChI
InChI=1S/C5H5ClN2O2S/c1-11(9,10)5-3-2-4(6)7-8-5/h2-3H,1H3
InChIKey
BUHGCLPAHGFCLE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(nn1)S(=O)(=O)C
Isomeric Smiles
c1(ccc(nn1)S(=O)(=O)C)Cl
Calculated Properties
JChem
LogD (pH = 7.4)
0.03479136
Log P
0.03479136
Molar Refractivity
43.9476
Polarizability
16.659107
Polar Surface Area
59.92
Rotatable Bonds
1
Lipinski's Rule of Five
true
Acid pKa
19.30945
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.03479136
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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