2,4,6-trichloro-N-[(Z)-furan-2-ylmethylideneamino]aniline
Formula:C11H7N2OCl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
2,4,6-trichloro-N-[(Z)-furan-2-ylmethylideneamino]aniline is not a drug-like molecule.
| MolName | 2,4,6-trichloro-N-[(Z)-furan-2-ylmethylideneamino]aniline |
| MolecularFormula | C11H7N2OCl3 |
| Smiles | Clc(cc1Cl)cc(Cl)c1N/N=C\c1ccco1 |
| InChI | InChI=1S/C11H7Cl3N2O/c12-7-4-9(13)11(10(14)5-7)16-15-6-8-2-1-3-17-8/h1-6,16H |
| InChIK | ZHWJPVGKJCCAPW-UHFFFAOYSA-N |
| TotalMolweight | 289.549 |
| Molweight | 289.549 |
| MonoisotopicMass | 287.962394 |
| CLogP | 5.8476 |
| CLogS | -5.039 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 205.19 |
| Relative PSA | 0.18071 |
| PolarSurfaceArea | 37.53 |
| Druglikeness | 1.9025 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - 2,4,6-trichloro-N-[(Z)-furan-2-ylmethylideneamino]aniline | 2 - 2,4,6-trichloro-N-[(Z)-furan-2-ylmethylideneamino]aniline
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