Molecule

ID:87662

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₅BO₃Si
Molecular Mass
280.243
Exact Mass
280.16660159
Charge
0
InChI
InChI=1S/C14H25BO3Si/c1-14(2,3)19(4,5)18-11-10-12-8-6-7-9-13(12)15(16)17/h6-9,16-17H,10-11H2,1-5H3
InChIKey
IYNGSWXPLWIRBQ-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccccc1CCO[Si](C(C)(C)C)(C)C)O
Isomeric Smiles
B(c1c(cccc1)CCO[Si](C(C)(C)C)(C)C)(O)O
Calculated Properties
JChem
Acid pKa
8.7756815
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.919471
LogD (pH = 7.4)
3.9018848
Log P
3.9197
Molar Refractivity
72.0225
Polarizability
31.81161
Polar Surface Area
49.69
Rotatable Bonds
6
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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