Molecule

ID:113440

General Information
Structure
MolImage
Molecular Formula
C₄H₇NaO₆S₂
Molecular Mass
238.21455
Exact Mass
237.95817423
Charge
0
InChI
InChI=1S/C4H8O6S2.Na/c5-11(6)2-1-4(3-11)10-12(7,8)9;/h4H,1-3H2,(H,7,8,9);/q;+1/p-1
InChIKey
KTTUGWFUGPJLDW-UHFFFAOYSA-M
Canonic Smiles
O=S1(=O)CCC(C1)OS(=O)(=O)[O-].[Na+]
Isomeric Smiles
S1(=O)(=O)CC(OS(=O)(=O)[O-])CC1.[Na+]
Calculated Properties
JChem
Acid pKa
-2.311047
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-4.059905
LogD (pH = 7.4)
-4.0599065
Log P
-1.6835077
Molar Refractivity
37.6824
Polarizability
17.154058
Polar Surface Area
100.57
Rotatable Bonds
2
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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