| MolName | 1-N,4-N-bis[(Z)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide |
| MolecularFormula | C22H14N4O2Cl4 |
| Smiles | O=C(c(cc1)ccc1C(N/N=C\c(ccc(Cl)c1)c1Cl)=O)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C22H14Cl4N4O2/c23-17-7-5-15(19(25)9-17)11-27-29-21(31)13-1-2-14(4-3-13)22(32)30-28-12-16-6-8-18(24)10-20(16)26/h1-12H,(H,29,31)(H,30,32) |
| InChIK | FCXUCKNNWFKCEE-UHFFFAOYSA-N |
| TotalMolweight | 508.191 |
| Molweight | 508.191 |
| MonoisotopicMass | 505.987084 |
| CLogP | 7.1676 |
| CLogS | -8.77 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 362.4 |
| Relative PSA | 0.19873 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | 4.4715 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 17 |
| StereoCon |
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1 - 1-N,4-N-bis[(Z)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide | 2 - 1-N,4-N-bis[(Z)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide