2-[4-[(Z)-[[2-(2,3,4,5,6-pentachlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]acetamide
Formula:C17H12N3O3Cl5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-[4-[(Z)-[[2-(2,3,4,5,6-pentachlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]acetamide is not a drug-like molecule.
| MolName | 2-[4-[(Z)-[[2-(2,3,4,5,6-pentachlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]acetamide |
| MolecularFormula | C17H12N3O3Cl5S |
| Smiles | NC(COc1ccc(/C=N\NC(CSc(c(Cl)c(c(Cl)c2Cl)Cl)c2Cl)=O)cc1)=O |
| InChI | InChI=1S/C17H12Cl5N3O3S/c18-12-13(19)15(21)17(16(22)14(12)20)29-7-11(27)25-24-5-8-1-3-9(4-2-8)28-6-10(23)26/h1-5H,6-7H2,(H2,23,26)(H,25,27) |
| InChIK | HEGOKAUHURIJQZ-UHFFFAOYSA-N |
| TotalMolweight | 515.631 |
| Molweight | 515.631 |
| MonoisotopicMass | 512.904197 |
| CLogP | 5.1066 |
| CLogS | -7.812 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 345.37 |
| Relative PSA | 0.26583 |
| PolarSurfaceArea | 119.08 |
| Druglikeness | 5.0133 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-[[2-(2,3,4,5,6-pentachlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]acetamide | 2 - 2-[4-[(Z)-[[2-(2,3,4,5,6-pentachlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]acetamide
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