Molecule

ID:9700

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆F₅NSi
Molecular Mass
297.339656
Exact Mass
297.09721715
Charge
0
InChI
InChI=1S/C12H16F5NSi/c1-5-18(6-2)19(3,4)12-10(16)8(14)7(13)9(15)11(12)17/h5-6H2,1-4H3
InChIKey
ZBVPABKIRWOTNJ-UHFFFAOYSA-N
Canonic Smiles
CCN([Si](c1c(F)c(F)c(c(c1F)F)F)(C)C)CC
Isomeric Smiles
c1(c(c(c(c(c1F)F)F)F)F)[Si](N(CC)CC)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.3762616
LogD (pH = 7.4)
0.38600186
Log P
2.8701
Molar Refractivity
61.5071
Polarizability
24.540943
Polar Surface Area
3.24
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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