Molecule

ID:111109

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₃NaO₄S
Molecular Mass
344.48559
Exact Mass
344.19972482
Charge
0
InChI
InChI=1S/C16H34O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1/p-1
InChIKey
GGHPAKFFUZUEKL-UHFFFAOYSA-M
Canonic Smiles
CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
Isomeric Smiles
[Na+].CCCCCCCCCCCCCCCCOS(=O)(=O)[O-]
Calculated Properties
JChem
Acid pKa
-1.4508551
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8187444
LogD (pH = 7.4)
3.818733
Log P
6.195132
Molar Refractivity
86.217
Polarizability
35.39928
Polar Surface Area
66.43
Rotatable Bonds
16
Lipinski's Rule of Five
false
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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