Molecule

ID:87764

General Information
Structure
Molecular Formula
C₁₃H₂₃BO₄Si
Molecular Mass
282.21582
Exact Mass
282.14586615
Charge
0
InChI
InChI=1S/C13H23BO4Si/c1-13(2,3)19(5,6)18-11-8-7-10(14(15)16)9-12(11)17-4/h7-9,15-16H,1-6H3
InChIKey
OQOAUYLMODKGHX-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1O[Si](C(C)(C)C)(C)C)B(O)O
Isomeric Smiles
B(c1cc(c(cc1)O[Si](C)(C)C(C)(C)C)OC)(O)O
Calculated Properties
JChem
Acid pKa
8.802565
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.320185
LogD (pH = 7.4)
3.303634
Log P
3.3204
Molar Refractivity
68.8957
Polarizability
30.714449
Polar Surface Area
58.92
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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