| MolName | 4-bromo-N-[(E)-[2-[2-(4-bromobenzoyl)hydrazinyl]-1-phenylethylidene]amino]benzamide |
| MolecularFormula | C22H18N4O2Br2 |
| Smiles | O=C(c(cc1)ccc1Br)NNC/C(/c1ccccc1)=N/NC(c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C22H18Br2N4O2/c23-18-10-6-16(7-11-18)21(29)27-25-14-20(15-4-2-1-3-5-15)26-28-22(30)17-8-12-19(24)13-9-17/h1-13,25H,14H2,(H,27,29)(H,28,30) |
| InChIK | OZWMESHEPCJJRE-UHFFFAOYSA-N |
| TotalMolweight | 530.219 |
| Molweight | 530.219 |
| MonoisotopicMass | 527.979648 |
| CLogP | 4.1361 |
| CLogS | -6.923 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 336.65 |
| Relative PSA | 0.21378 |
| PolarSurfaceArea | 82.59 |
| Druglikeness | 2.5459 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - 4-bromo-N-[(E)-[2-[2-(4-bromobenzoyl)hydrazinyl]-1-phenylethylidene]amino]benzamide | 2 - 4-bromo-N-[(E)-[2-[2-(4-bromobenzoyl)hydrazinyl]-1-phenylethylidene]amino]benzamide