Molecule

ID:94678

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆F₆NP
Molecular Mass
295.2049202
Exact Mass
295.09245547
Charge
0
InChI
InChI=1S/C10H16N.F6P/c1-11(2,3)9-10-7-5-4-6-8-10;1-7(2,3,4,5)6/h4-8H,9H2,1-3H3;/q+1;-1
InChIKey
YVHTWMLHAAQMDD-UHFFFAOYSA-N
Canonic Smiles
F[P-](F)(F)(F)(F)F.C[N+](Cc1ccccc1)(C)C
Isomeric Smiles
[N+](C)(Cc1ccccc1)(C)C.[P-](F)(F)(F)(F)(F)F
Calculated Properties
JChem
Acid pKa
18.822325
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-2.247694
LogD (pH = 7.4)
-2.247694
Log P
-2.247694
Molar Refractivity
60.5143
Polarizability
19.203337
Polar Surface Area
0.0
Rotatable Bonds
2
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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