Molecule

ID:95778

General Information
Structure
MolImage
Molecular Formula
C₇H₇F₆N₂O₂PS
Molecular Mass
328.1718602
Exact Mass
327.98700442
Charge
0
InChI
InChI=1S/C7H7N2O2S.F6P/c1-4-3-12-6(5(4)9-8)7(10)11-2;1-7(2,3,4,5)6/h3H,1-2H3;/q+1;-1
InChIKey
LFFTXRUBJBUVCG-UHFFFAOYSA-N
Canonic Smiles
F[P-](F)(F)(F)(F)F.COC(=O)c1scc(c1[N+]#N)C
Isomeric Smiles
s1cc(C)c(c1C(=O)OC)[N+]#N.[P-](F)(F)(F)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2395191
LogD (pH = 7.4)
2.2395191
Log P
2.2395191
Molar Refractivity
65.6605
Polarizability
16.68702
Polar Surface Area
54.45
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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