| MolName | (E)-N'-[2-(2,4-dibromophenoxy)acetyl]-3-thiophen-2-ylprop-2-enehydrazide |
| MolecularFormula | C15H12N2O3Br2S |
| Smiles | O=C(COc(ccc(Br)c1)c1Br)NNC(/C=C/c1cccs1)=O |
| InChI | InChI=1S/C15H12Br2N2O3S/c16-10-3-5-13(12(17)8-10)22-9-15(21)19-18-14(20)6-4-11-2-1-7-23-11/h1-8H,9H2,(H,18,20)(H,19,21) |
| InChIK | IQLDZDLQZUXNDY-UHFFFAOYSA-N |
| TotalMolweight | 460.145 |
| Molweight | 460.145 |
| MonoisotopicMass | 457.893535 |
| CLogP | 2.8387 |
| CLogS | -5.138 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 274.9 |
| Relative PSA | 0.28869 |
| PolarSurfaceArea | 95.67 |
| Druglikeness | 0.66048 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - (E)-N'-[2-(2,4-dibromophenoxy)acetyl]-3-thiophen-2-ylprop-2-enehydrazide | 2 - (E)-N'-[2-(2,4-dibromophenoxy)acetyl]-3-thiophen-2-ylprop-2-enehydrazide