Molecule

ID:76523

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃BO₃Si
Molecular Mass
302.24852
Exact Mass
302.15095153
Charge
0
InChI
InChI=1S/C16H23BO3Si/c1-16(2,3)21(4,5)20-15-9-7-12-10-14(17(18)19)8-6-13(12)11-15/h6-11,18-19H,1-5H3
InChIKey
QJXUSWJSQVIBCP-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccc2c(c1)ccc(c2)O[Si](C(C)(C)C)(C)C)O
Isomeric Smiles
B(c1ccc2cc(ccc2c1)O[Si](C)(C)C(C)(C)C)(O)O
Calculated Properties
JChem
Acid pKa
8.706701
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.5750318
LogD (pH = 7.4)
4.5544906
Log P
4.5753
Molar Refractivity
78.8827
Polarizability
35.72957
Polar Surface Area
49.69
Rotatable Bonds
4
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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