Molecule

ID:54559

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃F₃N₂Si
Molecular Mass
282.3364296
Exact Mass
282.08000962
Charge
0
InChI
InChI=1S/C13H13F3N2Si/c1-19(2,3)7-5-9-10-4-6-17-12(10)18-8-11(9)13(14,15)16/h4,6,8H,1-3H3,(H,17,18)
InChIKey
NWYBHFXLBJIPMT-UHFFFAOYSA-N
Canonic Smiles
C[Si](C#Cc1c2cc[nH]c2ncc1C(F)(F)F)(C)C
Isomeric Smiles
c1(cnc2c(c1C#C[Si](C)(C)C)cc[nH]2)C(F)(F)F
Calculated Properties
JChem
Acid pKa
14.404944
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.146325
LogD (pH = 7.4)
4.147979
Log P
4.148
Molar Refractivity
61.1505
Polarizability
26.045279
Polar Surface Area
28.68
Rotatable Bonds
3
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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