Molecule

ID:103300

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇NaO₄S
Molecular Mass
220.26225
Exact Mass
220.07452431
Charge
0
InChI
InChI=1S/C7H16O3S.Na.H2O/c1-2-3-4-5-6-7-11(8,9)10;;/h2-7H2,1H3,(H,8,9,10);;1H2/q;+1;/p-1
InChIKey
XWZCREJRXRKIRQ-UHFFFAOYSA-M
Canonic Smiles
CCCCCCCS(=O)(=O)[O-].O.[Na+]
Isomeric Smiles
O.[Na+].CCCCCCCS(=O)(=O)[O-]
Calculated Properties
JChem
Acid pKa
-0.5145956
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.52687865
LogD (pH = 7.4)
-0.5269769
Log P
1.8494207
Molar Refractivity
43.2102
Polarizability
18.168251
Polar Surface Area
57.2
Rotatable Bonds
6
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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