Molecule

ID:78729

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁BO₃Si
Molecular Mass
252.18984
Exact Mass
252.13530146
Charge
0
InChI
InChI=1S/C12H21BO3Si/c1-12(2,3)17(4,5)16-11-8-6-10(7-9-11)13(14)15/h6-9,14-15H,1-5H3
InChIKey
NVHHEADQQACSCJ-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccc(cc1)O[Si](C(C)(C)C)(C)C)O
Isomeric Smiles
B(c1ccc(cc1)O[Si](C)(C)C(C)(C)C)(O)O
Calculated Properties
JChem
Acid pKa
8.899544
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.572928
LogD (pH = 7.4)
3.559638
Log P
3.5731
Molar Refractivity
62.4325
Polarizability
28.191282
Polar Surface Area
49.69
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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