Molecule

ID:38371

General Information
Structure
MolImage
Molecular Formula
C₉H₆F₆N₂O₂
Molecular Mass
288.1465592
Exact Mass
288.03334676
Charge
0
InChI
InChI=1S/C9H6F6N2O2/c1-2-19-6(18)4-3-16-7(9(13,14)15)17-5(4)8(10,11)12/h3H,2H2,1H3
InChIKey
SRFVAGSJHJMMME-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc(nc1C(F)(F)F)C(F)(F)F
Isomeric Smiles
c1(nc(c(cn1)C(=O)OCC)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.290122
LogD (pH = 7.4)
3.290122
Log P
3.290122
Molar Refractivity
50.7325
Polarizability
18.04104
Polar Surface Area
52.08
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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