Molecule

ID:71303

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂N₂Si
Molecular Mass
176.29048
Exact Mass
176.07697493
Charge
0
InChI
InChI=1S/C9H12N2Si/c1-12(2,3)9-7-11-5-4-8(9)6-10/h4-5,7H,1-3H3
InChIKey
HOEFGISDEWYXLW-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccncc1[Si](C)(C)C
Isomeric Smiles
N#Cc1c([Si](C)(C)C)cncc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1342902
LogD (pH = 7.4)
2.1343
Log P
2.1343
Molar Refractivity
45.6863
Polarizability
19.716633
Polar Surface Area
36.68
Rotatable Bonds
1
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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