Molecule

ID:10585

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆BNO₂Si
Molecular Mass
267.24754
Exact Mass
267.18258601
Charge
0
InChI
InChI=1S/C13H26BNO2Si/c1-10(2)18(11(3)4,12(5)6)15-8-7-13(9-15)14(16)17/h7-12,16-17H,1-6H3
InChIKey
HUBVAOMVEMGRFA-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccn(c1)[Si](C(C)C)(C(C)C)C(C)C)O
Isomeric Smiles
n1(cc(cc1)B(O)O)[Si](C(C)C)(C(C)C)C(C)C
Calculated Properties
JChem
Acid pKa
8.704621
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.8758304
LogD (pH = 7.4)
3.8551922
Log P
3.8761
Molar Refractivity
70.6487
Polarizability
30.75734
Polar Surface Area
45.39
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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