2,4,6-trichloro-N-[(Z)-pyridin-3-ylmethylideneamino]aniline
Formula:C12H8N3Cl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
2,4,6-trichloro-N-[(Z)-pyridin-3-ylmethylideneamino]aniline is not a drug-like molecule.
| MolName | 2,4,6-trichloro-N-[(Z)-pyridin-3-ylmethylideneamino]aniline |
| MolecularFormula | C12H8N3Cl3 |
| Smiles | Clc(cc1Cl)cc(Cl)c1N/N=C\c1cnccc1 |
| InChI | InChI=1S/C12H8Cl3N3/c13-9-4-10(14)12(11(15)5-9)18-17-7-8-2-1-3-16-6-8/h1-7,18H |
| InChIK | LKJHTHHRSFMKMJ-UHFFFAOYSA-N |
| TotalMolweight | 300.576 |
| Molweight | 300.576 |
| MonoisotopicMass | 298.978378 |
| CLogP | 5.658 |
| CLogS | -4.562 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 214.26 |
| Relative PSA | 0.15841 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 2.3845 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2,4,6-trichloro-N-[(Z)-pyridin-3-ylmethylideneamino]aniline | 2 - 2,4,6-trichloro-N-[(Z)-pyridin-3-ylmethylideneamino]aniline
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