N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
Formula:C15H9N2O2Cl5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide |
| MolecularFormula | C15H9N2O2Cl5 |
| Smiles | O=C(COc(c(Cl)cc(Cl)c1)c1Cl)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C15H9Cl5N2O2/c16-8-4-12(19)15(13(20)5-8)24-7-14(23)22-21-6-9-10(17)2-1-3-11(9)18/h1-6H,7H2,(H,22,23) |
| InChIK | NQQPHOSEEAPUMJ-UHFFFAOYSA-N |
| TotalMolweight | 426.513 |
| Molweight | 426.513 |
| MonoisotopicMass | 423.910663 |
| CLogP | 5.8065 |
| CLogS | -7.181 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 287.85 |
| Relative PSA | 0.15984 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 4.2278 |
| 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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