Molecule

ID:99311

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁F₆NO₃
Molecular Mass
367.2431592
Exact Mass
367.06431254
Charge
0
InChI
InChI=1S/C15H11F6NO3/c1-3-24-13(23)11-7(2)22-12(25-11)8-4-9(14(16,17)18)6-10(5-8)15(19,20)21/h4-6H,3H2,1-2H3
InChIKey
GGVJOAVEQSOAFJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1oc(nc1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
o1c(nc(c1C(=O)OCC)C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.1072607
LogD (pH = 7.4)
4.1072607
Log P
4.1072607
Molar Refractivity
85.0593
Polarizability
27.332754
Polar Surface Area
52.33
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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