N-[(Z)-(3-nitrophenyl)methylideneamino]-2-(2,3,4,5,6-pentachlorophenyl)sulfanylacetamide
Formula:C15H8N3O3Cl5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(3-nitrophenyl)methylideneamino]-2-(2,3,4,5,6-pentachlorophenyl)sulfanylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-2-(2,3,4,5,6-pentachlorophenyl)sulfanylacetamide |
| MolecularFormula | C15H8N3O3Cl5S |
| Smiles | [O-][N+](c1cccc(/C=N\NC(CSc(c(Cl)c(c(Cl)c2Cl)Cl)c2Cl)=O)c1)=O |
| InChI | InChI=1S/C15H8Cl5N3O3S/c16-10-11(17)13(19)15(14(20)12(10)18)27-6-9(24)22-21-5-7-2-1-3-8(4-7)23(25)26/h1-5H,6H2,(H,22,24) |
| InChIK | WMCDMAKDRAOORS-UHFFFAOYSA-N |
| TotalMolweight | 487.578 |
| Molweight | 487.578 |
| MonoisotopicMass | 484.872897 |
| CLogP | 5.5228 |
| CLogS | -8.403 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 319.01 |
| Relative PSA | 0.26306 |
| PolarSurfaceArea | 112.58 |
| Druglikeness | -0.32474 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(3-nitrophenyl)methylideneamino]-2-(2,3,4,5,6-pentachlorophenyl)sulfanylacetamide | 2 - N-[(Z)-(3-nitrophenyl)methylideneamino]-2-(2,3,4,5,6-pentachlorophenyl)sulfanylacetamide
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