Molecule

ID:96263

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀F₆NO₆P
Molecular Mass
419.2544802
Exact Mass
419.09324332
Charge
0
InChI
InChI=1S/C12H20F6NO6P/c1-4-22-7-8-23-9(20)19-10(11(13,14)15,12(16,17)18)26(21,24-5-2)25-6-3/h4-8H2,1-3H3,(H,19,20)
InChIKey
ZZJIHOGPUZCANY-UHFFFAOYSA-N
Canonic Smiles
CCOCCOC(=O)NC(P(=O)(OCC)OCC)(C(F)(F)F)C(F)(F)F
Isomeric Smiles
P(=O)(C(NC(=O)OCCOCC)(C(F)(F)F)C(F)(F)F)(OCC)OCC
Calculated Properties
JChem
Acid pKa
7.8637595
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.2358336
LogD (pH = 7.4)
3.1219008
Log P
3.2375472
Molar Refractivity
76.5659
Polarizability
29.71458
Polar Surface Area
83.09
Rotatable Bonds
13
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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