Molecule

ID:44901

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₂Si
Molecular Mass
235.35438
Exact Mass
235.10285532
Charge
0
InChI
InChI=1S/C12H17NO2Si/c1-14-11-8-10(6-7-16(3,4)5)9-13-12(11)15-2/h8-9H,1-5H3
InChIKey
KDNDGRWJNLKLHR-UHFFFAOYSA-N
Canonic Smiles
COc1cc(cnc1OC)C#C[Si](C)(C)C
Isomeric Smiles
c1(c(ncc(c1)C#C[Si](C)(C)C)OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.927025
LogD (pH = 7.4)
2.927099
Log P
2.9271
Molar Refractivity
57.3776
Polarizability
25.506613
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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