Molecule

ID:86568

General Information
Structure
MolImage
Molecular Formula
C₆H₇Cl₂NaO₄S
Molecular Mass
269.07815
Exact Mass
267.93397935
Charge
0
InChI
InChI=1S/C6H4Cl2O2S.Na.2H2O/c7-5-2-1-4(11(9)10)3-6(5)8;;;/h1-3H,(H,9,10);;2*1H2/q;+1;;/p-1
InChIKey
MOWIWKHQCVAECK-UHFFFAOYSA-M
Canonic Smiles
[O-]S(=O)c1ccc(c(c1)Cl)Cl.O.O.[Na+]
Isomeric Smiles
S(=O)(c1cc(c(cc1)Cl)Cl)[O-].[Na+].O.O
Calculated Properties
JChem
Acid pKa
1.2093897
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.22670192
LogD (pH = 7.4)
-0.2318728
Log P
2.1444597
Molar Refractivity
45.692
Polarizability
18.175316
Polar Surface Area
40.13
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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