Molecule

ID:80463

General Information
Structure
Molecular Formula
C₄H₄ClNO₃S
Molecular Mass
181.59746
Exact Mass
180.96004167
Charge
0
InChI
InChI=1S/C4H4ClNO3S/c1-3-4(2-6-9-3)10(5,7)8/h2H,1H3
InChIKey
STYUNYVEEFPQMF-UHFFFAOYSA-N
Canonic Smiles
Cc1oncc1S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1c(onc1)C)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.48365548
LogD (pH = 7.4)
0.48365557
Log P
0.48365557
Molar Refractivity
36.8439
Polarizability
14.414589
Polar Surface Area
60.17
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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