3,4-dichloro-N-[(Z)-pyridin-3-ylmethylideneamino]aniline
Formula:C12H9N3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3,4-dichloro-N-[(Z)-pyridin-3-ylmethylideneamino]aniline is not a drug-like molecule.
| MolName | 3,4-dichloro-N-[(Z)-pyridin-3-ylmethylideneamino]aniline |
| MolecularFormula | C12H9N3Cl2 |
| Smiles | Clc(ccc(N/N=C\c1cnccc1)c1)c1Cl |
| InChI | InChI=1S/C12H9Cl2N3/c13-11-4-3-10(6-12(11)14)17-16-8-9-2-1-5-15-7-9/h1-8,17H |
| InChIK | FCTGJWSLJZCETL-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 | 0.70588 |
| 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 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 3,4-dichloro-N-[(Z)-pyridin-3-ylmethylideneamino]aniline | 2 - 3,4-dichloro-N-[(Z)-pyridin-3-ylmethylideneamino]aniline
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