Molecule

ID:11523

General Information
Structure
MolImage
Molecular Formula
C₃H₄ClN₃O₂S
Molecular Mass
181.60076
Exact Mass
180.97127506
Charge
0
InChI
InChI=1S/C3H4ClN3O2S/c1-10(8,9)3-5-2(4)6-7-3/h1H3,(H,5,6,7)
InChIKey
BRMRWSWIMLIBBO-UHFFFAOYSA-N
Canonic Smiles
Clc1nc([nH]n1)S(=O)(=O)C
Isomeric Smiles
c1(nc(n[nH]1)Cl)S(=O)(=O)C
Calculated Properties
JChem
Acid pKa
4.4616785
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.94955707
LogD (pH = 7.4)
-1.5682187
Log P
0.024019059
Molar Refractivity
37.895
Polarizability
14.52609
Polar Surface Area
75.71
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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