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2,3,4,5,6-pentafluoro-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]aniline

Formula:C18H8N2OF8 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2,3,4,5,6-pentafluoro-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]aniline is not a drug-like molecule.
MolName2,3,4,5,6-pentafluoro-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]aniline
MolecularFormulaC18H8N2OF8
SmilesFC(c1cccc(-c2ccc(/C=N\Nc(c(F)c(c(F)c3F)F)c3F)o2)c1)(F)F
InChIInChI=1S/C18H8F8N2O/c19-12-13(20)15(22)17(16(23)14(12)21)28-27-7-10-4-5-11(29-10)8-2-1-3-9(6-8)18(24,25)26/h1-7,28H
InChIKRSFSKGADGCACJG-UHFFFAOYSA-N
TotalMolweight420.259
Molweight420.259
MonoisotopicMass420.050887
CLogP7.1321
CLogS-6.957
H Acceptors3
H Donors1
TotalSurfaceArea279.9
Relative PSA0.13248
PolarSurfaceArea37.53
Druglikeness-2.8155
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde; polyhalo aromatic ring
Shape Index0.55172
Fragments1
Non HAtoms29
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms2
Symmetricatoms6
StereoCon

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