| MolName | [2,4-dibromo-6-[(Z)-[[2-(2-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C26H18N2O5Br2 |
| Smiles | O=C(COc(cccc1)c1-c1ccccc1)N/N=C\c1cc(Br)cc(Br)c1OC(c1ccco1)=O |
| InChI | InChI=1S/C26H18Br2N2O5/c27-19-13-18(25(21(28)14-19)35-26(32)23-11-6-12-33-23)15-29-30-24(31)16-34-22-10-5-4-9-20(22)17-7-2-1-3-8-17/h1-15H,16H2,(H,30,31) |
| InChIK | XSOWHOHEIIQLAI-UHFFFAOYSA-N |
| TotalMolweight | 598.246 |
| Molweight | 598.246 |
| MonoisotopicMass | 595.958245 |
| CLogP | 6.5053 |
| CLogS | -8.407 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 384.97 |
| Relative PSA | 0.21602 |
| PolarSurfaceArea | 90.13 |
| Druglikeness | 2.4585 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [2,4-dibromo-6-[(Z)-[[2-(2-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate | 2 - [2,4-dibromo-6-[(Z)-[[2-(2-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate