4-bromo-2-phenyl-5-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridazin-3-one
Formula:C19H15N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-2-phenyl-5-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridazin-3-one is a drug-like molecule.
| MolName | 4-bromo-2-phenyl-5-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridazin-3-one |
| MolecularFormula | C19H15N4OBr |
| Smiles | O=C1N(c2ccccc2)N=CC(N/N=C\C=C\c2ccccc2)=C1Br |
| InChI | InChI=1S/C19H15BrN4O/c20-18-17(23-21-13-7-10-15-8-3-1-4-9-15)14-22-24(19(18)25)16-11-5-2-6-12-16/h1-14,23H |
| InChIK | MWENXFJILUOSJM-UHFFFAOYSA-N |
| TotalMolweight | 395.259 |
| Molweight | 395.259 |
| MonoisotopicMass | 394.042922 |
| CLogP | 3.7501 |
| CLogS | -5.019 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 276.6 |
| Relative PSA | 0.18463 |
| PolarSurfaceArea | 57.06 |
| Druglikeness | -3.4851 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; 2-halo-enone |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| StereoCon |
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