5-chloro-4-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
Formula:C11H7N4OCl2F
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-chloro-4-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is a drug-like molecule.
| MolName | 5-chloro-4-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one |
| MolecularFormula | C11H7N4OCl2F |
| Smiles | O=C1NN=CC(N/N=C\c(c(F)ccc2)c2Cl)=C1Cl |
| InChI | InChI=1S/C11H7Cl2FN4O/c12-7-2-1-3-8(14)6(7)4-15-17-9-5-16-18-11(19)10(9)13/h1-5H,(H2,17,18,19) |
| InChIK | QRZXHRCUUSUMAZ-UHFFFAOYSA-N |
| TotalMolweight | 301.108 |
| Molweight | 301.108 |
| MonoisotopicMass | 299.998093 |
| CLogP | 2.3396 |
| CLogS | -4.925 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 210.06 |
| Relative PSA | 0.28078 |
| 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 | 0.57895 |
| 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 |
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