Molecule

ID:65065

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅BO₂Si
Molecular Mass
194.1107
Exact Mass
194.09343665
Charge
0
InChI
InChI=1S/C9H15BO2Si/c1-13(2,3)9-6-4-5-8(7-9)10(11)12/h4-7,11-12H,1-3H3
InChIKey
REMKRZLFPLDTKR-UHFFFAOYSA-N
Canonic Smiles
OB(c1cccc(c1)[Si](C)(C)C)O
Isomeric Smiles
B(c1cc([Si](C)(C)C)ccc1)(O)O
Calculated Properties
JChem
Acid pKa
8.761776
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.2241638
LogD (pH = 7.4)
3.2060175
Log P
3.2244
Molar Refractivity
46.6671
Polarizability
21.991583
Polar Surface Area
40.46
Rotatable Bonds
2
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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