| MolName | 3-(2,6-dichlorophenyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2,4-oxadiazole-5-carboxamide |
| MolecularFormula | C16H8N4O2Cl4 |
| Smiles | O=C(c1nc(-c(c(Cl)ccc2)c2Cl)no1)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C16H8Cl4N4O2/c17-9-3-1-4-10(18)8(9)7-21-23-15(25)16-22-14(24-26-16)13-11(19)5-2-6-12(13)20/h1-7H,(H,23,25) |
| InChIK | JHOAMHJQSVTQFF-UHFFFAOYSA-N |
| TotalMolweight | 430.078 |
| Molweight | 430.078 |
| MonoisotopicMass | 427.940134 |
| CLogP | 5.4447 |
| CLogS | -7.568 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 295.64 |
| Relative PSA | 0.24374 |
| PolarSurfaceArea | 80.38 |
| Druglikeness | 6.0545 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 3-(2,6-dichlorophenyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2,4-oxadiazole-5-carboxamide | 2 - 3-(2,6-dichlorophenyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2,4-oxadiazole-5-carboxamide