Molecule

ID:44899

General Information
Structure
Molecular Formula
C₁₂H₁₇NO₂Si
Molecular Mass
235.35438
Exact Mass
235.10285532
Charge
0
InChI
InChI=1S/C12H17NO2Si/c1-14-11-7-6-10(13-12(11)15-2)8-9-16(3,4)5/h6-7H,1-5H3
InChIKey
NWYWZFBARMYPPC-UHFFFAOYSA-N
Canonic Smiles
COc1nc(ccc1OC)C#C[Si](C)(C)C
Isomeric Smiles
c1(c(nc(cc1)C#C[Si](C)(C)C)OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.326177
LogD (pH = 7.4)
3.3261998
Log P
3.3262
Molar Refractivity
57.0056
Polarizability
25.509403
Polar Surface Area
31.35
Rotatable Bonds
4
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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