| MolName | N,N'-bis[(Z)-(2-chlorophenyl)methylideneamino]hexanediamide |
| MolecularFormula | C20H20N4O2Cl2 |
| Smiles | O=C(CCCCC(N/N=C\c(cccc1)c1Cl)=O)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C20H20Cl2N4O2/c21-17-9-3-1-7-15(17)13-23-25-19(27)11-5-6-12-20(28)26-24-14-16-8-2-4-10-18(16)22/h1-4,7-10,13-14H,5-6,11-12H2,(H,25,27)(H,26,28) |
| InChIK | VMTCNNITCITFOD-UHFFFAOYSA-N |
| TotalMolweight | 419.311 |
| Molweight | 419.311 |
| MonoisotopicMass | 418.09633 |
| CLogP | 5.568 |
| CLogS | -6.67 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 326.84 |
| Relative PSA | 0.22035 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | -4.103 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 14 |
| StereoCon |
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1 - N,N'-bis[(Z)-(2-chlorophenyl)methylideneamino]hexanediamide | 2 - N,N'-bis[(Z)-(2-chlorophenyl)methylideneamino]hexanediamide