Molecule

ID:93642

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇F₆N₂P
Molecular Mass
298.2088602
Exact Mass
298.1033545
Charge
0
InChI
InChI=1S/C9H17N2.F6P/c1-4-5-6-11-8-7-10(3)9(11)2;1-7(2,3,4,5)6/h7-8H,4-6H2,1-3H3;/q+1;-1
InChIKey
JWFPQAXAGSAKRF-UHFFFAOYSA-N
Canonic Smiles
F[P-](F)(F)(F)(F)F.CCCC[n+]1ccn(c1C)C
Isomeric Smiles
[n+]1(c(C)n(C)cc1)CCCC.[P-](F)(F)(F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-2.5068161
LogD (pH = 7.4)
-2.5068161
Log P
-2.5068161
Molar Refractivity
57.9327
Polarizability
18.207926
Polar Surface Area
8.81
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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