Molecule

ID:103303

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅NaO₄S
Molecular Mass
206.23567
Exact Mass
206.05887424
Charge
0
InChI
InChI=1S/C6H14O3S.Na.H2O/c1-2-3-4-5-6-10(7,8)9;;/h2-6H2,1H3,(H,7,8,9);;1H2/q;+1;/p-1
InChIKey
CLCGFJYKZGFGSQ-UHFFFAOYSA-M
Canonic Smiles
CCCCCCS(=O)(=O)[O-].O.[Na+]
Isomeric Smiles
O.[Na+].CCCCCCS(=O)(=O)[O-]
Calculated Properties
JChem
Acid pKa
-0.6118074
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.97146726
LogD (pH = 7.4)
-0.9715458
Log P
1.404852
Molar Refractivity
38.6092
Polarizability
16.341063
Polar Surface Area
57.2
Rotatable Bonds
5
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
No Data Available
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Molecule Details
References
Bioactivity
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