Molecule

ID:23859

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂Si
Molecular Mass
214.33846
Exact Mass
214.09262499
Charge
0
InChI
InChI=1S/C12H14N2Si/c1-15(2,3)9-6-10-4-7-13-12-11(10)5-8-14-12/h4-5,7-8H,1-3H3,(H,13,14)
InChIKey
OKPRDNLCWKLXGV-UHFFFAOYSA-N
Canonic Smiles
C[Si](C#Cc1ccnc2c1cc[nH]2)(C)C
Isomeric Smiles
c1cnc2c(c1C#C[Si](C)(C)C)cc[nH]2
Calculated Properties
JChem
Acid pKa
14.773276
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2502344
LogD (pH = 7.4)
3.265008
Log P
3.2652
Molar Refractivity
55.1768
Polarizability
25.030092
Polar Surface Area
28.68
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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