Molecule

ID:10340

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClN₂O₃S
Molecular Mass
218.61762
Exact Mass
217.95529065
Charge
0
InChI
InChI=1S/C6H3ClN2O3S/c7-13(10,11)5-3-1-2-4-6(5)9-12-8-4/h1-3H
InChIKey
SIYWVPMYOGMRDW-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1cccc2c1non2
Isomeric Smiles
c1(S(=O)(=O)Cl)c2c(non2)ccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.2695715
LogD (pH = 7.4)
1.2695715
Log P
1.2695715
Molar Refractivity
46.329
Polarizability
19.149755
Polar Surface Area
73.06
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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