5-chloro-4-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
Formula:C11H8N4OClF
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-chloro-4-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is a drug-like molecule.
| MolName | 5-chloro-4-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one |
| MolecularFormula | C11H8N4OClF |
| Smiles | O=C1NN=CC(N/N=C/c(cccc2)c2F)=C1Cl |
| InChI | InChI=1S/C11H8ClFN4O/c12-10-9(6-15-17-11(10)18)16-14-5-7-3-1-2-4-8(7)13/h1-6H,(H2,16,17,18) |
| InChIK | ZOPKXQXEWVVYHR-UHFFFAOYSA-N |
| TotalMolweight | 266.663 |
| Molweight | 266.663 |
| MonoisotopicMass | 266.037066 |
| CLogP | 1.7336 |
| CLogS | -4.189 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 194.64 |
| Relative PSA | 0.30302 |
| PolarSurfaceArea | 65.85 |
| Druglikeness | 2.3915 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; 2-halo-enone |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one | 2 - 5-chloro-4-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off