Molecule

ID:94966

General Information
Structure
MolImage
Molecular Formula
C₆H₆F₉O₄P
Molecular Mass
344.0688298
Exact Mass
343.98599928
Charge
0
InChI
InChI=1S/C6H6F9O4P/c7-4(8,9)1-17-20(16,18-2-5(10,11)12)19-3-6(13,14)15/h1-3H2
InChIKey
ZMQDTYVODWKHNT-UHFFFAOYSA-N
Canonic Smiles
FC(COP(=O)(OCC(F)(F)F)OCC(F)(F)F)(F)F
Isomeric Smiles
P(=O)(OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.979067
LogD (pH = 7.4)
2.979067
Log P
2.979067
Molar Refractivity
44.4491
Polarizability
17.393328
Polar Surface Area
44.76
Rotatable Bonds
9
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
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References
Bioactivity
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