N-[(E)-1-phenylpentylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
Formula:C19H19N2O2Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(E)-1-phenylpentylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(E)-1-phenylpentylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide |
| MolecularFormula | C19H19N2O2Cl3 |
| Smiles | CCCC/C(/c1ccccc1)=N\NC(COc(c(Cl)c1)cc(Cl)c1Cl)=O |
| InChI | InChI=1S/C19H19Cl3N2O2/c1-2-3-9-17(13-7-5-4-6-8-13)23-24-19(25)12-26-18-11-15(21)14(20)10-16(18)22/h4-8,10-11H,2-3,9,12H2,1H3,(H,24,25) |
| InChIK | XHSUXCKOOSFSJN-UHFFFAOYSA-N |
| TotalMolweight | 413.731 |
| Molweight | 413.731 |
| MonoisotopicMass | 412.051209 |
| CLogP | 5.8956 |
| CLogS | -6.879 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 308.76 |
| Relative PSA | 0.14902 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -2.1177 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; polyhalo aromatic ring |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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