Molecule

ID:130602

General Information
Structure
MolImage
Molecular Formula
C₃H₆Na₂O₆S₂
Molecular Mass
248.18568
Exact Mass
247.94011847
Charge
0
InChI
InChI=1S/C3H8O6S2.2Na/c4-10(5,6)2-1-3-11(7,8)9;;/h1-3H2,(H,4,5,6)(H,7,8,9);;/q;2*+1/p-2
InChIKey
DKGJFKPIUSHDIT-UHFFFAOYSA-L
Canonic Smiles
[O-]S(=O)(=O)CCCS(=O)(=O)[O-].[Na+].[Na+]
Isomeric Smiles
C(CS(=O)(=O)[O-])CS(=O)(=O)[O-].[Na+].[Na+]
Calculated Properties
JChem
Acid pKa
-1.9697242
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
-6.4807143
LogD (pH = 7.4)
-6.4807315
Log P
-1.7279339
Molar Refractivity
33.9636
Polarizability
15.709389
Polar Surface Area
114.4
Rotatable Bonds
4
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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