Molecule

ID:95483

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈F₃NO₅
Molecular Mass
301.2595296
Exact Mass
301.11370734
Charge
0
InChI
InChI=1S/C11H18F3NO5/c1-5-18-8(16)10(11(12,13)14,20-7(3)4)15-9(17)19-6-2/h7H,5-6H2,1-4H3,(H,15,17)
InChIKey
VYOMUGZULVYMMD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)NC(C(F)(F)F)(C(=O)OCC)OC(C)C
Isomeric Smiles
N(C(C(F)(F)F)(C(=O)OCC)OC(C)C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
9.958082
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.696226
LogD (pH = 7.4)
2.6951766
Log P
2.6962392
Molar Refractivity
61.9935
Polarizability
24.059752
Polar Surface Area
73.86
Rotatable Bonds
9
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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