Molecule

ID:134129

General Information
Structure
MolImage
Molecular Formula
C₃H₉NaO₄S
Molecular Mass
164.15593
Exact Mass
164.01192405
Charge
0
InChI
InChI=1S/C3H8O3S.Na.H2O/c1-2-3-7(4,5)6;;/h2-3H2,1H3,(H,4,5,6);;1H2/q;+1;/p-1
InChIKey
QBQVXXQXZXDEHE-UHFFFAOYSA-M
Canonic Smiles
CCCS(=O)(=O)[O-].O.[Na+]
Isomeric Smiles
CCCS(=O)(=O)[O-].O.[Na+]
Calculated Properties
JChem
Acid pKa
-1.0590653
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-2.3052244
LogD (pH = 7.4)
-2.3052526
Log P
0.071146
Molar Refractivity
24.8062
Polarizability
10.888813
Polar Surface Area
57.2
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
No Data Available
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Molecule Details
References
Bioactivity
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