Molecule

ID:95417

General Information
Structure
MolImage
Molecular Formula
C₈H₉F₃N₂O₃
Molecular Mass
238.1638696
Exact Mass
238.05652682
Charge
0
InChI
InChI=1S/C8H9F3N2O3/c1-13-5(8(9,10)11)3-6(12-13)16-4-7(14)15-2/h3H,4H2,1-2H3
InChIKey
AILJPRDZBWSNJB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)COc1cc(n(n1)C)C(F)(F)F
Isomeric Smiles
n1(c(cc(n1)OCC(=O)OC)C(F)(F)F)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2596161
LogD (pH = 7.4)
1.2596191
Log P
1.2596191
Molar Refractivity
58.443
Polarizability
17.457733
Polar Surface Area
53.35
Rotatable Bonds
5
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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