N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
Formula:C15H11N2O2Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide |
| MolecularFormula | C15H11N2O2Cl3 |
| Smiles | O=C(COc(ccc(Cl)c1)c1Cl)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C15H11Cl3N2O2/c16-11-3-1-10(2-4-11)8-19-20-15(21)9-22-14-6-5-12(17)7-13(14)18/h1-8H,9H2,(H,20,21) |
| InChIK | ZCQMDRAZXAZMCT-UHFFFAOYSA-N |
| TotalMolweight | 357.623 |
| Molweight | 357.623 |
| MonoisotopicMass | 355.988609 |
| CLogP | 4.5945 |
| CLogS | -5.709 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 257.01 |
| Relative PSA | 0.17902 |
| 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 | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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