Molecule

ID:64794

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClF₆N₂P
Molecular Mass
306.6166402
Exact Mass
306.04873209
Charge
0
InChI
InChI=1S/C7H14ClN2.F6P/c1-9(2)5-7(8)6-10(3)4;1-7(2,3,4,5)6/h5-6H,1-4H3;/q+1;-1
InChIKey
PIUHAULDXSPPQV-UHFFFAOYSA-N
Canonic Smiles
F[P-](F)(F)(F)(F)F.CN(/C=C(/C=[N+](C)C)\Cl)C
Isomeric Smiles
C(=C(\C=[N+](C)C)/Cl)/N(C)C.[P-](F)(F)(F)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-2.9836764
LogD (pH = 7.4)
-2.929546
Log P
-2.9288104
Molar Refractivity
57.9272
Polarizability
17.370338
Polar Surface Area
6.25
Rotatable Bonds
2
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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