2-(2,4-dichlorophenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
Formula:C15H10N2O2Cl4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-(2,4-dichlorophenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(2,4-dichlorophenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H10N2O2Cl4 |
| Smiles | O=C(COc(ccc(Cl)c1)c1Cl)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H10Cl4N2O2/c16-10-2-1-9(12(18)5-10)7-20-21-15(22)8-23-14-4-3-11(17)6-13(14)19/h1-7H,8H2,(H,21,22) |
| InChIK | UECWNOVDHFOERW-UHFFFAOYSA-N |
| TotalMolweight | 392.068 |
| Molweight | 392.068 |
| MonoisotopicMass | 389.949636 |
| CLogP | 5.2005 |
| CLogS | -6.445 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 272.43 |
| Relative PSA | 0.16889 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 4.2278 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - 2-(2,4-dichlorophenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide | 2 - 2-(2,4-dichlorophenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
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