Molecule

ID:10253

General Information
Structure
MolImage
Molecular Formula
C₄HCl₂NO₄S₂
Molecular Mass
262.09104
Exact Mass
260.87240488
Charge
0
InChI
InChI=1S/C4HCl2NO4S2/c5-4-2(7(8)9)1-3(12-4)13(6,10)11/h1H
InChIKey
SGHAHFHTASPNKN-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(sc1Cl)S(=O)(=O)Cl
Isomeric Smiles
c1c(c(sc1S(=O)(=O)Cl)Cl)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
18.1153
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.5760117
LogD (pH = 7.4)
2.5760117
Log P
2.5760117
Molar Refractivity
46.8031
Polarizability
19.465414
Polar Surface Area
77.28
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
Molecule Details
References
Bioactivity
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