Molecule

ID:32544

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅N₃Si
Molecular Mass
229.3531
Exact Mass
229.10352403
Charge
0
InChI
InChI=1S/C12H15N3Si/c1-15-9-14-11-7-10(8-13-12(11)15)5-6-16(2,3)4/h7-9H,1-4H3
InChIKey
XWXFNPDZHIPSIR-UHFFFAOYSA-N
Canonic Smiles
Cn1cnc2c1ncc(c2)C#C[Si](C)(C)C
Isomeric Smiles
c1(cnc2c(c1)ncn2C)C#C[Si](C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.609416
LogD (pH = 7.4)
2.6098938
Log P
2.6099
Molar Refractivity
57.8975
Polarizability
25.887648
Polar Surface Area
30.71
Rotatable Bonds
2
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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