| MolName | (E)-3-(2-chlorophenyl)-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide |
| MolecularFormula | C17H11N3O2Cl2 |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)Nc1nnc(-c(cc2)ccc2Cl)o1 |
| InChI | InChI=1S/C17H11Cl2N3O2/c18-13-8-5-12(6-9-13)16-21-22-17(24-16)20-15(23)10-7-11-3-1-2-4-14(11)19/h1-10H,(H,20,22,23) |
| InChIK | FKLUAMMZXBYIKP-UHFFFAOYSA-N |
| TotalMolweight | 360.199 |
| Molweight | 360.199 |
| MonoisotopicMass | 359.022831 |
| CLogP | 4.5429 |
| CLogS | -6.97 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 266.54 |
| Relative PSA | 0.22717 |
| PolarSurfaceArea | 68.02 |
| Druglikeness | 0.91661 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (E)-3-(2-chlorophenyl)-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide | 2 - (E)-3-(2-chlorophenyl)-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide