Molecule

ID:33003

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃F₃N₂Si
Molecular Mass
258.3150296
Exact Mass
258.08000962
Charge
0
InChI
InChI=1S/C11H13F3N2Si/c1-17(2,3)5-4-8-6-9(11(12,13)14)7-16-10(8)15/h6-7H,1-3H3,(H2,15,16)
InChIKey
KLSNMJYIWORYMD-UHFFFAOYSA-N
Canonic Smiles
FC(c1cnc(c(c1)C#C[Si](C)(C)C)N)(F)F
Isomeric Smiles
c1(cnc(c(c1)C#C[Si](C)(C)C)N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4567823
LogD (pH = 7.4)
3.5310628
Log P
3.5321
Molar Refractivity
55.1253
Polarizability
22.730598
Polar Surface Area
38.91
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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