2-[(3,4-dichlorophenyl)methyl]-6-[(E)-2-phenylethenyl]pyridazin-3-one
Formula:C19H14N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(3,4-dichlorophenyl)methyl]-6-[(E)-2-phenylethenyl]pyridazin-3-one is a drug-like molecule.
| MolName | 2-[(3,4-dichlorophenyl)methyl]-6-[(E)-2-phenylethenyl]pyridazin-3-one |
| MolecularFormula | C19H14N2OCl2 |
| Smiles | O=C1N(Cc(cc2)cc(Cl)c2Cl)N=C(/C=C/c2ccccc2)C=C1 |
| InChI | InChI=1S/C19H14Cl2N2O/c20-17-10-7-15(12-18(17)21)13-23-19(24)11-9-16(22-23)8-6-14-4-2-1-3-5-14/h1-12H,13H2 |
| InChIK | GHSFBOHHQWTBBB-UHFFFAOYSA-N |
| TotalMolweight | 357.239 |
| Molweight | 357.239 |
| MonoisotopicMass | 356.048317 |
| CLogP | 4.336 |
| CLogS | -5.205 |
| H Acceptors | 3 |
| TotalSurfaceArea | 268.14 |
| Relative PSA | 0.1048 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 2.6951 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-[(3,4-dichlorophenyl)methyl]-6-[(E)-2-phenylethenyl]pyridazin-3-one | 2 - 2-[(3,4-dichlorophenyl)methyl]-6-[(E)-2-phenylethenyl]pyridazin-3-one
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