Molecule

ID:58678

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂Si
Molecular Mass
216.35434
Exact Mass
216.10827505
Charge
0
InChI
InChI=1S/C12H16N2Si/c1-15(2,3)11-6-4-5-10(9-11)12-7-8-13-14-12/h4-9H,1-3H3,(H,13,14)
InChIKey
SSTRXXHMIXADCH-UHFFFAOYSA-N
Canonic Smiles
C[Si](c1cccc(c1)c1ccn[nH]1)(C)C
Isomeric Smiles
[nH]1nccc1c1cc(ccc1)[Si](C)(C)C
Calculated Properties
JChem
Acid pKa
13.556741
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.4070349
LogD (pH = 7.4)
3.4071977
Log P
3.4072
Molar Refractivity
60.8227
Polarizability
26.597437
Polar Surface Area
28.68
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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