Molecule

ID:23745

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)17-13-12(8-7-10-16-13)9-11-19(4,5)6/h7-8,10H,1-6H3,(H,16,17,18)
InChIKey
DYSXZOBEDACASN-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)Nc1ncccc1C#C[Si](C)(C)C
Isomeric Smiles
c1cnc(c(c1)C#C[Si](C)(C)C)NC(=O)C(C)(C)C
Calculated Properties
JChem
Acid pKa
11.662273
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.6109304
LogD (pH = 7.4)
4.6136417
Log P
4.6137
Molar Refractivity
73.0166
Polarizability
30.871382
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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