N-[(Z)-(2,6-dichlorophenyl)methylideneamino]pyridin-3-amine
Formula:C12H9N3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]pyridin-3-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2,6-dichlorophenyl)methylideneamino]pyridin-3-amine |
| MolecularFormula | C12H9N3Cl2 |
| Smiles | Clc1cccc(Cl)c1/C=N\Nc1cnccc1 |
| InChI | InChI=1S/C12H9Cl2N3/c13-11-4-1-5-12(14)10(11)8-16-17-9-3-2-6-15-7-9/h1-8,17H |
| InChIK | JHRJLDKRTWCAIW-UHFFFAOYSA-N |
| TotalMolweight | 266.13 |
| Molweight | 266.13 |
| MonoisotopicMass | 265.017351 |
| CLogP | 5.052 |
| CLogS | -3.826 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 198.84 |
| Relative PSA | 0.17069 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]pyridin-3-amine | 2 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]pyridin-3-amine
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