| MolName | 5-bromo-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C15H10N2O4Br2 |
| Smiles | Oc(ccc(Br)c1)c1C(N/N=C\c(cc1OCOc1c1)c1Br)=O |
| InChI | InChI=1S/C15H10Br2N2O4/c16-9-1-2-12(20)10(4-9)15(21)19-18-6-8-3-13-14(5-11(8)17)23-7-22-13/h1-6,20H,7H2,(H,19,21) |
| InChIK | BLCGUCZZMXURAQ-UHFFFAOYSA-N |
| TotalMolweight | 442.062 |
| Molweight | 442.062 |
| MonoisotopicMass | 439.90073 |
| CLogP | 4.4177 |
| CLogS | -5.804 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 250.86 |
| Relative PSA | 0.27549 |
| PolarSurfaceArea | 80.15 |
| Druglikeness | 2.4225 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| StereoCon |
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1 - 5-bromo-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-hydroxybenzamide | 2 - 5-bromo-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-hydroxybenzamide