Molecule

ID:112112

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂O₆Si
Molecular Mass
232.26278
Exact Mass
232.04031464
Charge
0
InChI
InChI=1S/C8H12O6Si/c1-5-15(12-6(2)9,13-7(3)10)14-8(4)11/h5H,1H2,2-4H3
InChIKey
NOZAQBYNLKNDRT-UHFFFAOYSA-N
Canonic Smiles
C=C[Si](OC(=O)C)(OC(=O)C)OC(=O)C
Isomeric Smiles
CC(=O)O[Si](OC(=O)C)(OC(=O)C)C=C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.406
LogD (pH = 7.4)
0.406
Log P
0.406
Molar Refractivity
44.6306
Polarizability
20.674503
Polar Surface Area
78.9
Rotatable Bonds
7
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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