Molecule
ID:95502
General Information
Molecular Formula
C₁₂H₂₀F₆NO₅P
Molecular Mass
403.2550802
Exact Mass
403.0983287
Charge
0
InChI
InChI=1S/C12H20F6NO5P/c1-6-22-9(20)19-10(11(13,14)15,12(16,17)18)25(21,23-7(2)3)24-8(4)5/h7-8H,6H2,1-5H3,(H,19,20)
InChIKey
XQJCWEVWMDLRKO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)NC(P(=O)(OC(C)C)OC(C)C)(C(F)(F)F)C(F)(F)F
Isomeric Smiles
P(=O)(C(NC(=O)OCC)(C(F)(F)F)C(F)(F)F)(OC(C)C)OC(C)C
Calculated Properties
JChem
Acid pKa
7.8945684
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.1760054
LogD (pH = 7.4)
4.068775
Log P
4.177602
Molar Refractivity
74.36
Polarizability
28.901993
Polar Surface Area
73.86
Rotatable Bonds
10
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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