5-bromo-4-[(2Z)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
Formula:C11H8N4OBrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-4-[(2Z)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is a drug-like molecule.
| MolName | 5-bromo-4-[(2Z)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one |
| MolecularFormula | C11H8N4OBrF |
| Smiles | O=C1NN=CC(N/N=C\c(cccc2)c2F)=C1Br |
| InChI | InChI=1S/C11H8BrFN4O/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 | HXZNAOMDSHJLFP-UHFFFAOYSA-N |
| TotalMolweight | 311.114 |
| Molweight | 311.114 |
| MonoisotopicMass | 309.98655 |
| CLogP | 1.8646 |
| CLogS | -4.331 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 197.85 |
| Relative PSA | 0.2981 |
| PolarSurfaceArea | 65.85 |
| Druglikeness | -4.5035 |
| Mutagenic | none |
| 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 |
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