3,5-dichloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]pyridin-2-amine
Formula:C12H7N3Cl3F
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
3,5-dichloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]pyridin-2-amine is not a drug-like molecule.
| MolName | 3,5-dichloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]pyridin-2-amine |
| MolecularFormula | C12H7N3Cl3F |
| Smiles | Fc1cccc(Cl)c1/C=N\Nc(ncc(Cl)c1)c1Cl |
| InChI | InChI=1S/C12H7Cl3FN3/c13-7-4-10(15)12(17-5-7)19-18-6-8-9(14)2-1-3-11(8)16/h1-6H,(H,17,19) |
| InChIK | FTAOJDJVBYUVIL-UHFFFAOYSA-N |
| TotalMolweight | 318.566 |
| Molweight | 318.566 |
| MonoisotopicMass | 316.968956 |
| CLogP | 6.1102 |
| CLogS | -5.401 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 220.61 |
| Relative PSA | 0.15385 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 1.0445 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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