Molecule

ID:9744

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NaO₃S
Molecular Mass
174.19381
Exact Mass
174.03265949
Charge
0
InChI
InChI=1S/C5H12O3S.Na/c1-2-3-4-5-9(6,7)8;/h2-5H2,1H3,(H,6,7,8);/q;+1/p-1
InChIKey
ROBLTDOHDSGGDT-UHFFFAOYSA-M
Canonic Smiles
CCCCCS(=O)(=O)[O-].[Na+]
Isomeric Smiles
CCCCCS(=O)(=O)[O-].[Na+]
Calculated Properties
JChem
Acid pKa
-0.729525
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.4160548
LogD (pH = 7.4)
-1.4161147
Log P
0.96028334
Molar Refractivity
34.0082
Polarizability
14.517794
Polar Surface Area
57.2
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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