2,3,4,5,6-pentafluoro-N-[(Z)-(5-phenylfuran-2-yl)methylideneamino]aniline
Formula:C17H9N2OF5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2,3,4,5,6-pentafluoro-N-[(Z)-(5-phenylfuran-2-yl)methylideneamino]aniline is not a drug-like molecule.
| MolName | 2,3,4,5,6-pentafluoro-N-[(Z)-(5-phenylfuran-2-yl)methylideneamino]aniline |
| MolecularFormula | C17H9N2OF5 |
| Smiles | Fc(c(N/N=C\c1ccc(-c2ccccc2)o1)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C17H9F5N2O/c18-12-13(19)15(21)17(16(22)14(12)20)24-23-8-10-6-7-11(25-10)9-4-2-1-3-5-9/h1-8,24H |
| InChIK | AOJPDPGRPFSHBT-UHFFFAOYSA-N |
| TotalMolweight | 352.261 |
| Molweight | 352.261 |
| MonoisotopicMass | 352.063503 |
| CLogP | 6.2838 |
| CLogS | -6.179 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 250.44 |
| Relative PSA | 0.14806 |
| PolarSurfaceArea | 37.53 |
| Druglikeness | 3.0345 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - 2,3,4,5,6-pentafluoro-N-[(Z)-(5-phenylfuran-2-yl)methylideneamino]aniline | 2 - 2,3,4,5,6-pentafluoro-N-[(Z)-(5-phenylfuran-2-yl)methylideneamino]aniline
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