N-[(Z)-benzylideneamino]-2-(2,3,4,5,6-pentachlorophenyl)sulfanylacetamide
Formula:C15H9N2OCl5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-benzylideneamino]-2-(2,3,4,5,6-pentachlorophenyl)sulfanylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-(2,3,4,5,6-pentachlorophenyl)sulfanylacetamide |
| MolecularFormula | C15H9N2OCl5S |
| Smiles | O=C(CSc(c(Cl)c(c(Cl)c1Cl)Cl)c1Cl)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C15H9Cl5N2OS/c16-10-11(17)13(19)15(14(20)12(10)18)24-7-9(23)22-21-6-8-4-2-1-3-5-8/h1-6H,7H2,(H,22,23) |
| InChIK | XXWFIOXTKOSWHX-UHFFFAOYSA-N |
| TotalMolweight | 442.58 |
| Molweight | 442.58 |
| MonoisotopicMass | 439.887818 |
| CLogP | 6.4444 |
| CLogS | -7.943 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 295.34 |
| Relative PSA | 0.18115 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | 4.8128 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - N-[(Z)-benzylideneamino]-2-(2,3,4,5,6-pentachlorophenyl)sulfanylacetamide | 2 - N-[(Z)-benzylideneamino]-2-(2,3,4,5,6-pentachlorophenyl)sulfanylacetamide
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