Molecule

ID:104759

General Information
Structure
MolImage
Molecular Formula
C₆H₁₇NaO₄SSi
Molecular Mass
236.33705
Exact Mass
236.05145084
Charge
0
InChI
InChI=1S/C6H16O3SSi.Na.H2O/c1-11(2,3)6-4-5-10(7,8)9;;/h4-6H2,1-3H3,(H,7,8,9);;1H2/q;+1;/p-1
InChIKey
USHJXRFOMFFRJS-UHFFFAOYSA-M
Canonic Smiles
C[Si](CCCS(=O)(=O)[O-])(C)C.O.[Na+]
Isomeric Smiles
O.[Na+].C[Si](C)(C)CCCS(=O)(=O)[O-]
Calculated Properties
JChem
Acid pKa
-0.7769011
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.3070581
LogD (pH = 7.4)
-1.3070995
Log P
0.9567
Molar Refractivity
40.6756
Polarizability
19.284344
Polar Surface Area
57.2
Rotatable Bonds
4
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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