Molecule

ID:127195

General Information
Structure
MolImage
Molecular Formula
C₆H₁₆O₃SSi
Molecular Mass
196.33994
Exact Mass
196.0589419
Charge
0
InChI
InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)
InChIKey
TVZRAEYQIKYCPH-UHFFFAOYSA-N
Canonic Smiles
C[Si](CCCS(=O)(=O)O)(C)C
Isomeric Smiles
C[Si](C)(C)CCCS(=O)(=O)O
Calculated Properties
JChem
Acid pKa
-0.7769011
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3070581
LogD (pH = 7.4)
-1.3070995
Log P
0.9567
Molar Refractivity
41.7973
Polarizability
19.39902
Polar Surface Area
54.37
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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