Molecule

ID:132001

General Information
Structure
Molecular Formula
C₁₇H₄₂O₅Si₄
Molecular Mass
438.85438
Exact Mass
438.21093057
Charge
0
InChI
InChI=1S/C17H42O5Si4/c1-23(2,3)19-14-16(21-25(7,8)9)17(22-26(10,11)12)15(13-18)20-24(4,5)6/h13,15-17H,14H2,1-12H3
InChIKey
DWTGGLMCGFIELV-UHFFFAOYSA-N
Canonic Smiles
O=CC(C(C(O[Si](C)(C)C)CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
Isomeric Smiles
C[Si](C)(C)OCC(C(C(C=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
Calculated Properties
JChem
Acid pKa
12.948203
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
5.2128
LogD (pH = 7.4)
5.2127986
Log P
5.2128
Molar Refractivity
95.8867
Polarizability
46.655685
Polar Surface Area
53.99
Rotatable Bonds
12
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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