Molecule

ID:22402

General Information
Structure
MolImage
Molecular Formula
C₃H₃ClN₂O₂S
Molecular Mass
166.58612
Exact Mass
165.96037603
Charge
0
InChI
InChI=1S/C3H3ClN2O2S/c4-9(7,8)3-1-5-6-2-3/h1-2H,(H,5,6)
InChIKey
MRPFJQLRQGTKNI-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1c[nH]nc1
Isomeric Smiles
[nH]1ncc(c1)S(=O)(=O)Cl
Calculated Properties
JChem
Acid pKa
7.186554
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.21494877
LogD (pH = 7.4)
-0.19176401
Log P
0.22373283
Molar Refractivity
33.9396
Polarizability
13.412551
Polar Surface Area
62.82
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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