6-chloro-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]pyridin-2-amine
Formula:C12H8N3Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
6-chloro-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]pyridin-2-amine is not a drug-like molecule.
| MolName | 6-chloro-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]pyridin-2-amine |
| MolecularFormula | C12H8N3Cl3 |
| Smiles | Clc1cccc(Cl)c1/C=N\Nc1cccc(Cl)n1 |
| InChI | InChI=1S/C12H8Cl3N3/c13-9-3-1-4-10(14)8(9)7-16-18-12-6-2-5-11(15)17-12/h1-7H,(H,17,18) |
| InChIK | DMYMQTVZYCYEIS-UHFFFAOYSA-N |
| TotalMolweight | 300.576 |
| Molweight | 300.576 |
| MonoisotopicMass | 298.978378 |
| CLogP | 6.1068 |
| CLogS | -4.85 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 214.26 |
| Relative PSA | 0.15841 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| 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 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 6-chloro-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]pyridin-2-amine | 2 - 6-chloro-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]pyridin-2-amine
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