| MolName | N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]oxamide |
| MolecularFormula | C17H11N3O3Cl2F4 |
| Smiles | O=C(C(N/N=C\c(ccc(Cl)c1)c1Cl)=O)Nc(cccc1)c1OC(C(F)F)(F)F |
| InChI | InChI=1S/C17H11Cl2F4N3O3/c18-10-6-5-9(11(19)7-10)8-24-26-15(28)14(27)25-12-3-1-2-4-13(12)29-17(22,23)16(20)21/h1-8,16H,(H,25,27)(H,26,28) |
| InChIK | LJJPTDHMVDTBHD-UHFFFAOYSA-N |
| TotalMolweight | 452.19 |
| Molweight | 452.19 |
| MonoisotopicMass | 451.011358 |
| CLogP | 4.1699 |
| CLogS | -6.451 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 305.35 |
| Relative PSA | 0.23092 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | -7.8966 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]oxamide | 2 - N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]oxamide