| MolName | 2-(2-chlorophenoxy)-N-[(E)-[(2E)-2-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide |
| MolecularFormula | C18H16N4O4Cl2 |
| Smiles | O=C(COc(cccc1)c1Cl)N/N=C/C=N/NC(COc(cccc1)c1Cl)=O |
| InChI | InChI=1S/C18H16Cl2N4O4/c19-13-5-1-3-7-15(13)27-11-17(25)23-21-9-10-22-24-18(26)12-28-16-8-4-2-6-14(16)20/h1-10H,11-12H2,(H,23,25)(H,24,26) |
| InChIK | KDCMKNUTYKYBKX-UHFFFAOYSA-N |
| TotalMolweight | 423.255 |
| Molweight | 423.255 |
| MonoisotopicMass | 422.05486 |
| CLogP | 2.2784 |
| CLogS | -4.994 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 319.32 |
| Relative PSA | 0.28817 |
| PolarSurfaceArea | 101.38 |
| Druglikeness | 4.2278 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| 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 | 14 |
| StereoCon |
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1 - 2-(2-chlorophenoxy)-N-[(E)-[(2E)-2-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide | 2 - 2-(2-chlorophenoxy)-N-[(E)-[(2E)-2-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide