3-[(E)-2-phenylethenyl]-1H-pyridazin-6-one
Formula:C12H10N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-2-phenylethenyl]-1H-pyridazin-6-one is a drug-like molecule.
| MolName | 3-[(E)-2-phenylethenyl]-1H-pyridazin-6-one |
| MolecularFormula | C12H10N2O |
| Smiles | O=C1NN=C(/C=C/c2ccccc2)C=C1 |
| InChI | InChI=1S/C12H10N2O/c15-12-9-8-11(13-14-12)7-6-10-4-2-1-3-5-10/h1-9H,(H,14,15) |
| InChIK | KQZVCMCKJNRGRG-UHFFFAOYSA-N |
| TotalMolweight | 198.224 |
| Molweight | 198.224 |
| MonoisotopicMass | 198.079313 |
| CLogP | 1.6882 |
| CLogS | -2.915 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 164.94 |
| Relative PSA | 0.21832 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.1225 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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