| MolName | N,N'-bis[(Z)-(2,4-difluorophenyl)methylideneamino]hexanediamide |
| MolecularFormula | C20H18N4O2F4 |
| Smiles | O=C(CCCCC(N/N=C\c(ccc(F)c1)c1F)=O)N/N=C\c(ccc(F)c1)c1F |
| InChI | InChI=1S/C20H18F4N4O2/c21-15-7-5-13(17(23)9-15)11-25-27-19(29)3-1-2-4-20(30)28-26-12-14-6-8-16(22)10-18(14)24/h5-12H,1-4H2,(H,27,29)(H,28,30) |
| InChIK | LAWYQZXGVDQQEU-UHFFFAOYSA-N |
| TotalMolweight | 422.381 |
| Molweight | 422.381 |
| MonoisotopicMass | 422.136588 |
| CLogP | 4.7592 |
| CLogS | -6.454 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 321.4 |
| Relative PSA | 0.22408 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | -5.4695 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 15 |
| StereoCon |
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1 - N,N'-bis[(Z)-(2,4-difluorophenyl)methylideneamino]hexanediamide | 2 - N,N'-bis[(Z)-(2,4-difluorophenyl)methylideneamino]hexanediamide