3,5,6-trichloro-N-[(Z)-(2,4-difluorophenyl)methylideneamino]pyridin-2-amine
Formula:C12H6N3Cl3F2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
3,5,6-trichloro-N-[(Z)-(2,4-difluorophenyl)methylideneamino]pyridin-2-amine is not a drug-like molecule.
| MolName | 3,5,6-trichloro-N-[(Z)-(2,4-difluorophenyl)methylideneamino]pyridin-2-amine |
| MolecularFormula | C12H6N3Cl3F2 |
| Smiles | Fc1cc(F)c(/C=N\Nc(nc(c(Cl)c2)Cl)c2Cl)cc1 |
| InChI | InChI=1S/C12H6Cl3F2N3/c13-8-4-9(14)12(19-11(8)15)20-18-5-6-1-2-7(16)3-10(6)17/h1-5H,(H,19,20) |
| InChIK | IJVXPFXSOVLLMP-UHFFFAOYSA-N |
| TotalMolweight | 336.556 |
| Molweight | 336.556 |
| MonoisotopicMass | 334.959534 |
| CLogP | 6.3084 |
| CLogS | -5.478 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 226.96 |
| Relative PSA | 0.14954 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 1.0445 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3,5,6-trichloro-N-[(Z)-(2,4-difluorophenyl)methylideneamino]pyridin-2-amine | 2 - 3,5,6-trichloro-N-[(Z)-(2,4-difluorophenyl)methylideneamino]pyridin-2-amine
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