| MolName | 2-(4-iodophenoxy)-N-[(Z)-[(2Z)-2-[[2-(4-iodophenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide |
| MolecularFormula | C18H16N4O4I2 |
| Smiles | O=C(COc(cc1)ccc1I)N/N=C\C=N/NC(COc(cc1)ccc1I)=O |
| InChI | InChI=1S/C18H16I2N4O4/c19-13-1-5-15(6-2-13)27-11-17(25)23-21-9-10-22-24-18(26)12-28-16-7-3-14(20)4-8-16/h1-10H,11-12H2,(H,23,25)(H,24,26) |
| InChIK | XYCCAYTYLNVTIW-UHFFFAOYSA-N |
| TotalMolweight | 606.149 |
| Molweight | 606.149 |
| MonoisotopicMass | 605.926102 |
| CLogP | 1.9406 |
| CLogS | -5.554 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 341.04 |
| Relative PSA | 0.26982 |
| PolarSurfaceArea | 101.38 |
| Druglikeness | 4.6454 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.78571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 16 |
| StereoCon |
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1 - 2-(4-iodophenoxy)-N-[(Z)-[(2Z)-2-[[2-(4-iodophenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide | 2 - 2-(4-iodophenoxy)-N-[(Z)-[(2Z)-2-[[2-(4-iodophenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide