4-chloro-5-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-[(2,3,6-trichlorophenyl)methyl]pyridazin-3-one
Formula:C20H16N4O3Cl4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4-chloro-5-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-[(2,3,6-trichlorophenyl)methyl]pyridazin-3-one is not a drug-like molecule.
| MolName | 4-chloro-5-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-[(2,3,6-trichlorophenyl)methyl]pyridazin-3-one |
| MolecularFormula | C20H16N4O3Cl4 |
| Smiles | COc(cc1)cc(/C=N\NC(C=NN(Cc(c(Cl)ccc2Cl)c2Cl)C2=O)=C2Cl)c1OC |
| InChI | InChI=1S/C20H16Cl4N4O3/c1-30-12-3-6-17(31-2)11(7-12)8-25-27-16-9-26-28(20(29)19(16)24)10-13-14(21)4-5-15(22)18(13)23/h3-9,27H,10H2,1-2H3 |
| InChIK | AHPBDJYVPGHQSA-UHFFFAOYSA-N |
| TotalMolweight | 502.184 |
| Molweight | 502.184 |
| MonoisotopicMass | 499.997649 |
| CLogP | 4.7466 |
| CLogS | -6.937 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 351.43 |
| Relative PSA | 0.20223 |
| PolarSurfaceArea | 75.52 |
| Druglikeness | 4.1578 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; 2-halo-enone; polyhalo aromatic ring |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| StereoCon |
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1 - 4-chloro-5-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-[(2,3,6-trichlorophenyl)methyl]pyridazin-3-one | 2 - 4-chloro-5-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-[(2,3,6-trichlorophenyl)methyl]pyridazin-3-one
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