Molecule

ID:50536

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O₂Si
Molecular Mass
248.35314
Exact Mass
248.09810429
Charge
0
InChI
InChI=1S/C12H16N2O2Si/c1-9(15)14-11-8-13-7-10(12(11)16)5-6-17(2,3)4/h7-8H,1-4H3,(H,13,16)(H,14,15)
InChIKey
WIFGXFSIJSLBTJ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cncc(c1O)C#C[Si](C)(C)C
Isomeric Smiles
c1(cncc(c1O)NC(=O)C)C#C[Si](C)(C)C
Calculated Properties
JChem
Acid pKa
9.062194
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.7747345
LogD (pH = 7.4)
1.7660831
Log P
1.775
Molar Refractivity
60.9816
Polarizability
25.963776
Polar Surface Area
62.22
Rotatable Bonds
3
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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