Molecule

ID:23749

General Information
Structure
Molecular Formula
C₁₃H₁₉NO₂Si
Molecular Mass
249.38096
Exact Mass
249.11850539
Charge
0
InChI
InChI=1S/C13H19NO2Si/c1-15-13(16-2)12-8-11(9-14-10-12)6-7-17(3,4)5/h8-10,13H,1-5H3
InChIKey
OZASIYDGVNBWMZ-UHFFFAOYSA-N
Canonic Smiles
COC(c1cncc(c1)C#C[Si](C)(C)C)OC
Isomeric Smiles
c1(cncc(c1)C#C[Si](C)(C)C)C(OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.645071
LogD (pH = 7.4)
2.6496413
Log P
2.6497
Molar Refractivity
61.4859
Polarizability
27.36172
Polar Surface Area
31.35
Rotatable Bonds
5
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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