Molecule

ID:23698

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂OSi
Molecular Mass
274.43348
Exact Mass
274.15013987
Charge
0
InChI
InChI=1S/C15H22N2OSi/c1-15(2,3)14(18)17-13-8-7-12(11-16-13)9-10-19(4,5)6/h7-8,11H,1-6H3,(H,16,17,18)
InChIKey
FOKZXVSYCUPKBI-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)Nc1ccc(cn1)C#C[Si](C)(C)C
Isomeric Smiles
c1(cnc(cc1)NC(=O)C(C)(C)C)C#C[Si](C)(C)C
Calculated Properties
JChem
Acid pKa
12.103752
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.612309
LogD (pH = 7.4)
4.613674
Log P
4.6137
Molar Refractivity
73.0166
Polarizability
30.869743
Polar Surface Area
41.99
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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