5-chloro-4-[(2E)-2-[(2,3,6-trichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
Formula:C11H6N4OCl4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
5-chloro-4-[(2E)-2-[(2,3,6-trichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is a drug-like molecule.
| MolName | 5-chloro-4-[(2E)-2-[(2,3,6-trichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one |
| MolecularFormula | C11H6N4OCl4 |
| Smiles | O=C1NN=CC(N/N=C/c(c(Cl)ccc2Cl)c2Cl)=C1Cl |
| InChI | InChI=1S/C11H6Cl4N4O/c12-6-1-2-7(13)9(14)5(6)3-16-18-8-4-17-19-11(20)10(8)15/h1-4H,(H2,18,19,20) |
| InChIK | AHRKCMRXUUHPFV-UHFFFAOYSA-N |
| TotalMolweight | 352.008 |
| Molweight | 352.008 |
| MonoisotopicMass | 349.929569 |
| CLogP | 3.4508 |
| CLogS | -6.083 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 234.55 |
| Relative PSA | 0.25146 |
| PolarSurfaceArea | 65.85 |
| Druglikeness | 3.7315 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; 2-halo-enone; polyhalo aromatic ring |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - 5-chloro-4-[(2E)-2-[(2,3,6-trichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one | 2 - 5-chloro-4-[(2E)-2-[(2,3,6-trichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off