| MolName | 5-bromo-N-[(Z)-[(2Z)-2-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]ethylidene]amino]-2-hydroxybenzamide |
| MolecularFormula | C16H12N4O4Br2 |
| Smiles | Oc(ccc(Br)c1)c1C(N/N=C\C=N/NC(c(cc(cc1)Br)c1O)=O)=O |
| InChI | InChI=1S/C16H12Br2N4O4/c17-9-1-3-13(23)11(7-9)15(25)21-19-5-6-20-22-16(26)12-8-10(18)2-4-14(12)24/h1-8,23-24H,(H,21,25)(H,22,26) |
| InChIK | UPPGJEJITYOIMU-UHFFFAOYSA-N |
| TotalMolweight | 484.103 |
| Molweight | 484.103 |
| MonoisotopicMass | 481.922528 |
| CLogP | 2.6756 |
| CLogS | -5.038 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 290.92 |
| Relative PSA | 0.33762 |
| PolarSurfaceArea | 123.38 |
| Druglikeness | 2.6304 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 13 |
| StereoCon |
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1 - 5-bromo-N-[(Z)-[(2Z)-2-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]ethylidene]amino]-2-hydroxybenzamide | 2 - 5-bromo-N-[(Z)-[(2Z)-2-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]ethylidene]amino]-2-hydroxybenzamide