5-bromo-4-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
Formula:C11H7N4OBrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-4-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is a drug-like molecule.
| MolName | 5-bromo-4-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one |
| MolecularFormula | C11H7N4OBrCl2 |
| Smiles | O=C1NN=CC(N/N=C\c(ccc(Cl)c2)c2Cl)=C1Br |
| InChI | InChI=1S/C11H7BrCl2N4O/c12-10-9(5-16-18-11(10)19)17-15-4-6-1-2-7(13)3-8(6)14/h1-5H,(H2,17,18,19) |
| InChIK | DVOLWDDHURRQRY-UHFFFAOYSA-N |
| TotalMolweight | 362.014 |
| Molweight | 362.014 |
| MonoisotopicMass | 359.918026 |
| CLogP | 2.9758 |
| CLogS | -5.489 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 222.34 |
| Relative PSA | 0.26527 |
| PolarSurfaceArea | 65.85 |
| Druglikeness | -3.1478 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; 2-halo-enone |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - 5-bromo-4-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one | 2 - 5-bromo-4-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off