| MolName | N,N'-bis[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]hexanediamide |
| MolecularFormula | C22H20N4O2F6 |
| Smiles | O=C(CCCCC(N/N=C\c1ccc(C(F)(F)F)cc1)=O)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C22H20F6N4O2/c23-21(24,25)17-9-5-15(6-10-17)13-29-31-19(33)3-1-2-4-20(34)32-30-14-16-7-11-18(12-8-16)22(26,27)28/h5-14H,1-4H2,(H,31,33)(H,32,34) |
| InChIK | IZMVDFPWARFAQS-UHFFFAOYSA-N |
| TotalMolweight | 486.415 |
| Molweight | 486.415 |
| MonoisotopicMass | 486.149044 |
| CLogP | 6.0526 |
| CLogS | -6.754 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 354.92 |
| Relative PSA | 0.20292 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | -11.319 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 11 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 21 |
| StereoCon |
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1 - N,N'-bis[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]hexanediamide | 2 - N,N'-bis[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]hexanediamide