Molecule

ID:87654

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂BNO₂Si
Molecular Mass
275.22648
Exact Mass
275.15128588
Charge
0
InChI
InChI=1S/C14H22BNO2Si/c1-14(2,3)19(4,5)16-9-8-11-10-12(15(17)18)6-7-13(11)16/h6-10,17-18H,1-5H3
InChIKey
PPFZQIOBIOETAS-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccc2c(c1)ccn2[Si](C(C)(C)C)(C)C)O
Isomeric Smiles
n1(c2ccc(cc2cc1)B(O)O)[Si](C)(C)C(C)(C)C
Calculated Properties
JChem
Acid pKa
8.705759
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.6430311
LogD (pH = 7.4)
3.622446
Log P
3.6433
Molar Refractivity
73.3632
Polarizability
32.75426
Polar Surface Area
45.39
Rotatable Bonds
3
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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