| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-[4-(tetrazol-1-yl)phenoxy]acetamide |
| MolecularFormula | C16H12N6O2Cl2 |
| Smiles | O=C(COc(cc1)ccc1-n1nnnc1)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C16H12Cl2N6O2/c17-12-2-1-11(15(18)7-12)8-19-21-16(25)9-26-14-5-3-13(4-6-14)24-10-20-22-23-24/h1-8,10H,9H2,(H,21,25) |
| InChIK | LMHHWWXENLFBHK-UHFFFAOYSA-N |
| TotalMolweight | 391.217 |
| Molweight | 391.217 |
| MonoisotopicMass | 390.039878 |
| CLogP | 2.8871 |
| CLogS | -5.272 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 286.83 |
| Relative PSA | 0.2991 |
| PolarSurfaceArea | 94.29 |
| Druglikeness | 3.1521 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-[4-(tetrazol-1-yl)phenoxy]acetamide | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-[4-(tetrazol-1-yl)phenoxy]acetamide