Molecule

ID:95492

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀F₃O₆P
Molecular Mass
336.2418706
Exact Mass
336.09495965
Charge
0
InChI
InChI=1S/C11H20F3O6P/c1-6-17-10(15)9(11(12,13)14)20-21(16,18-7(2)3)19-8(4)5/h7-9H,6H2,1-5H3
InChIKey
WCEFHHYPRXXMQK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(F)(F)F)OP(=O)(OC(C)C)OC(C)C
Isomeric Smiles
P(=O)(OC(C(F)(F)F)C(=O)OCC)(OC(C)C)OC(C)C
Calculated Properties
JChem
Acid pKa
13.486612
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8082821
LogD (pH = 7.4)
2.808282
Log P
2.8082821
Molar Refractivity
67.2313
Polarizability
26.881502
Polar Surface Area
71.06
Rotatable Bonds
10
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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