| MolName | 4-chloro-N-[(E)-[(2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]ethylidene]amino]benzamide |
| MolecularFormula | C16H12N4O2Cl2 |
| Smiles | O=C(c(cc1)ccc1Cl)N/N=C/C=N\NC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C16H12Cl2N4O2/c17-13-5-1-11(2-6-13)15(23)21-19-9-10-20-22-16(24)12-3-7-14(18)8-4-12/h1-10H,(H,21,23)(H,22,24) |
| InChIK | VIACHDBFUACSJH-UHFFFAOYSA-N |
| TotalMolweight | 363.203 |
| Molweight | 363.203 |
| MonoisotopicMass | 362.03373 |
| CLogP | 3.1286 |
| CLogS | -5.434 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 271.8 |
| Relative PSA | 0.26497 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | 4.4715 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 4-chloro-N-[(E)-[(2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]ethylidene]amino]benzamide | 2 - 4-chloro-N-[(E)-[(2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]ethylidene]amino]benzamide