Molecule

ID:130034

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₈O₃SSi
Molecular Mass
280.49942
Exact Mass
280.15284229
Charge
0
InChI
InChI=1S/C12H28O3SSi/c1-10(2,3)13-17(16,14-11(4,5)6)15-12(7,8)9/h16H,1-9H3
InChIKey
ZVUGYOCGLCLJAV-UHFFFAOYSA-N
Canonic Smiles
CC(O[Si](OC(C)(C)C)(OC(C)(C)C)S)(C)C
Isomeric Smiles
CC(C)(C)O[Si](S)(OC(C)(C)C)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
9.48107
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.0212564
LogD (pH = 7.4)
3.0178478
Log P
3.0213
Molar Refractivity
69.1133
Polarizability
30.923733
Polar Surface Area
27.69
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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