Molecule

ID:64799

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄F₉N₂P
Molecular Mass
340.1695498
Exact Mass
340.07508907
Charge
0
InChI
InChI=1S/C8H14F3N2.F6P/c1-12(2)5-7(6-13(3)4)8(9,10)11;1-7(2,3,4,5)6/h5-6H,1-4H3;/q+1;-1
InChIKey
GMWIFDFSXGELQO-UHFFFAOYSA-N
Canonic Smiles
F[P-](F)(F)(F)(F)F.CN(/C=C(\C(F)(F)F)/C=[N+](C)C)C
Isomeric Smiles
C(=C(\C=[N+](C)C)/C(F)(F)F)/N(C)C.[P-](F)(F)(F)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-2.6009367
LogD (pH = 7.4)
-2.5583558
Log P
-2.557785
Molar Refractivity
58.4255
Polarizability
16.707848
Polar Surface Area
6.25
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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