Molecule

ID:7790

General Information
Structure
MolImage
Molecular Formula
C₈H₇F₃N₂O₃
Molecular Mass
236.1479896
Exact Mass
236.04087675
Charge
0
InChI
InChI=1S/C8H7F3N2O3/c1-2-16-6(14)4-3-12-7(15)13-5(4)8(9,10)11/h3H,2H2,1H3,(H,12,13,15)
InChIKey
NDYMZBLTCALOTK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c[nH]c(=O)nc1C(F)(F)F
Isomeric Smiles
n1c(=O)[nH]cc(c1C(F)(F)F)C(=O)OCC
Calculated Properties
JChem
Acid pKa
7.0971904
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0556828
LogD (pH = 7.4)
0.67652464
Log P
1.0652758
Molar Refractivity
46.1575
Polarizability
16.98938
Polar Surface Area
67.76
Rotatable Bonds
4
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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