Molecule

ID:51138

General Information
Structure
Molecular Formula
C₁₃H₁₃F₃N₂Si
Molecular Mass
282.3364296
Exact Mass
282.08000962
Charge
0
InChI
InChI=1S/C13H13F3N2Si/c1-19(2,3)5-4-9-6-11(13(14,15)16)7-10(8-17)12(9)18/h6-7H,18H2,1-3H3
InChIKey
IBTAKELRSAONNG-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(cc(c1N)C#C[Si](C)(C)C)C(F)(F)F
Isomeric Smiles
C(c1cc(c(c(C#C[Si](C)(C)C)c1)N)C#N)(F)(F)F
Calculated Properties
JChem
Acid pKa
18.222317
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.9603643
LogD (pH = 7.4)
3.9603996
Log P
3.9604
Molar Refractivity
62.6903
Polarizability
25.417536
Polar Surface Area
49.81
Rotatable Bonds
3
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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