2,5-dichloro-N-[(Z)-pyridin-2-ylmethylideneamino]aniline
Formula:C12H9N3Cl2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
2,5-dichloro-N-[(Z)-pyridin-2-ylmethylideneamino]aniline is not a drug-like molecule.
| MolName | 2,5-dichloro-N-[(Z)-pyridin-2-ylmethylideneamino]aniline |
| MolecularFormula | C12H9N3Cl2 |
| Smiles | Clc(cc1)cc(N/N=C\c2ncccc2)c1Cl |
| InChI | InChI=1S/C12H9Cl2N3/c13-9-4-5-11(14)12(7-9)17-16-8-10-3-1-2-6-15-10/h1-8,17H |
| InChIK | GEMMKQARVKAXKD-UHFFFAOYSA-N |
| TotalMolweight | 266.13 |
| Molweight | 266.13 |
| MonoisotopicMass | 265.017351 |
| CLogP | 5.106 |
| CLogS | -3.85 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 198.84 |
| Relative PSA | 0.17069 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 2.3845 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| 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 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2,5-dichloro-N-[(Z)-pyridin-2-ylmethylideneamino]aniline | 2 - 2,5-dichloro-N-[(Z)-pyridin-2-ylmethylideneamino]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off