Molecule

ID:23704

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂OSi
Molecular Mass
218.32716
Exact Mass
218.08753961
Charge
0
InChI
InChI=1S/C11H14N2OSi/c1-15(2,3)8-6-9-5-4-7-13-10(9)11(12)14/h4-5,7H,1-3H3,(H2,12,14)
InChIKey
OGACQPYTBNGLQD-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1ncccc1C#C[Si](C)(C)C
Isomeric Smiles
c1cnc(c(c1)C#C[Si](C)(C)C)C(=O)N
Calculated Properties
JChem
Acid pKa
13.734045
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7840954
LogD (pH = 7.4)
1.7840997
Log P
1.7841
Molar Refractivity
52.8441
Polarizability
23.306547
Polar Surface Area
55.98
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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