Molecule

ID:105203

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉NaO₃S
Molecular Mass
230.30013
Exact Mass
230.09525975
Charge
0
InChI
InChI=1S/C9H20O3S.Na/c1-2-3-4-5-6-7-8-9-13(10,11)12;/h2-9H2,1H3,(H,10,11,12);/q;+1/p-1
InChIKey
RUYRDULZOKULPK-UHFFFAOYSA-M
Canonic Smiles
CCCCCCCCCS(=O)(=O)[O-].[Na+]
Isomeric Smiles
[Na+].CCCCCCCCCS(=O)(=O)[O-]
Calculated Properties
JChem
Acid pKa
-0.5855428
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.36224368
LogD (pH = 7.4)
0.36216027
Log P
2.738558
Molar Refractivity
52.4122
Polarizability
21.831064
Polar Surface Area
57.2
Rotatable Bonds
8
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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