| MolName | N,N'-bis[(Z)-(4-chlorophenyl)methylideneamino]nonanediamide |
| MolecularFormula | C23H26N4O2Cl2 |
| Smiles | O=C(CCCCCCCC(N/N=C\c(cc1)ccc1Cl)=O)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C23H26Cl2N4O2/c24-20-12-8-18(9-13-20)16-26-28-22(30)6-4-2-1-3-5-7-23(31)29-27-17-19-10-14-21(25)15-11-19/h8-17H,1-7H2,(H,28,30)(H,29,31) |
| InChIK | VNHSYUIZQVLANZ-UHFFFAOYSA-N |
| TotalMolweight | 461.391 |
| Molweight | 461.391 |
| MonoisotopicMass | 460.14328 |
| CLogP | 6.9312 |
| CLogS | -7.48 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 368.12 |
| Relative PSA | 0.19564 |
| 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 | 0.80645 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 12 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 17 |
| StereoCon |
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1 - N,N'-bis[(Z)-(4-chlorophenyl)methylideneamino]nonanediamide | 2 - N,N'-bis[(Z)-(4-chlorophenyl)methylideneamino]nonanediamide