5-bromo-4-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyridazin-6-one
Formula:C13H11N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-4-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyridazin-6-one is a drug-like molecule.
| MolName | 5-bromo-4-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyridazin-6-one |
| MolecularFormula | C13H11N4OBr |
| Smiles | O=C1NN=CC(N/N=C\C=C\c2ccccc2)=C1Br |
| InChI | InChI=1S/C13H11BrN4O/c14-12-11(9-16-18-13(12)19)17-15-8-4-7-10-5-2-1-3-6-10/h1-9H,(H2,17,18,19) |
| InChIK | QDFQYONGISNNLP-UHFFFAOYSA-N |
| TotalMolweight | 319.161 |
| Molweight | 319.161 |
| MonoisotopicMass | 318.011622 |
| CLogP | 1.7821 |
| CLogS | -4.309 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 218 |
| Relative PSA | 0.27055 |
| PolarSurfaceArea | 65.85 |
| Druglikeness | -3.1784 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; 2-halo-enone |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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