N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2,3,4,5,6-pentachlorophenyl)sulfanylacetamide
Formula:C15H8N2OBrCl5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2,3,4,5,6-pentachlorophenyl)sulfanylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2,3,4,5,6-pentachlorophenyl)sulfanylacetamide |
| MolecularFormula | C15H8N2OBrCl5S |
| Smiles | O=C(CSc(c(Cl)c(c(Cl)c1Cl)Cl)c1Cl)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C15H8BrCl5N2OS/c16-8-3-1-7(2-4-8)5-22-23-9(24)6-25-15-13(20)11(18)10(17)12(19)14(15)21/h1-5H,6H2,(H,23,24) |
| InChIK | GQIFSYGVTGISMB-UHFFFAOYSA-N |
| TotalMolweight | 521.477 |
| Molweight | 521.477 |
| MonoisotopicMass | 517.798329 |
| CLogP | 7.1696 |
| CLogS | -8.777 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 313.97 |
| Relative PSA | 0.1704 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | 3.0228 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| 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)-(4-bromophenyl)methylideneamino]-2-(2,3,4,5,6-pentachlorophenyl)sulfanylacetamide | 2 - N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2,3,4,5,6-pentachlorophenyl)sulfanylacetamide
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