2-[(4-fluorophenyl)methyl]-6-[(E)-2-phenylethenyl]pyridazin-3-one
Formula:C19H15N2OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4-fluorophenyl)methyl]-6-[(E)-2-phenylethenyl]pyridazin-3-one is a drug-like molecule.
| MolName | 2-[(4-fluorophenyl)methyl]-6-[(E)-2-phenylethenyl]pyridazin-3-one |
| MolecularFormula | C19H15N2OF |
| Smiles | O=C1N(Cc(cc2)ccc2F)N=C(/C=C/c2ccccc2)C=C1 |
| InChI | InChI=1S/C19H15FN2O/c20-17-9-6-16(7-10-17)14-22-19(23)13-12-18(21-22)11-8-15-4-2-1-3-5-15/h1-13H,14H2 |
| InChIK | JZKNTPNSXNSIBW-UHFFFAOYSA-N |
| TotalMolweight | 306.339 |
| Molweight | 306.339 |
| MonoisotopicMass | 306.116841 |
| CLogP | 3.2248 |
| CLogS | -4.047 |
| H Acceptors | 3 |
| TotalSurfaceArea | 243.65 |
| Relative PSA | 0.11533 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 1.32 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 2-[(4-fluorophenyl)methyl]-6-[(E)-2-phenylethenyl]pyridazin-3-one | 2 - 2-[(4-fluorophenyl)methyl]-6-[(E)-2-phenylethenyl]pyridazin-3-one
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