| MolName | 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C15H13N3O3Cl2S |
| Smiles | O=C(CNC(COc(ccc(Cl)c1)c1Cl)=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C15H13Cl2N3O3S/c16-10-3-4-13(12(17)6-10)23-9-15(22)18-8-14(21)20-19-7-11-2-1-5-24-11/h1-7H,8-9H2,(H,18,22)(H,20,21) |
| InChIK | MSZDQZYLOIVFKL-UHFFFAOYSA-N |
| TotalMolweight | 386.258 |
| Molweight | 386.258 |
| MonoisotopicMass | 385.005466 |
| CLogP | 2.9388 |
| CLogS | -4.75 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 280.5 |
| Relative PSA | 0.32396 |
| PolarSurfaceArea | 108.03 |
| Druglikeness | 6.8249 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide