| MolName | [2,4-dibromo-6-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C23H16N3O4Br2F |
| Smiles | O=C(CNC(c1cc(F)ccc1)=O)N/N=C\c1cc(Br)cc(Br)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C23H16Br2FN3O4/c24-17-9-16(21(19(25)11-17)33-23(32)14-5-2-1-3-6-14)12-28-29-20(30)13-27-22(31)15-7-4-8-18(26)10-15/h1-12H,13H2,(H,27,31)(H,29,30) |
| InChIK | BNFMDQKJIZXJGB-UHFFFAOYSA-N |
| TotalMolweight | 577.203 |
| Molweight | 577.203 |
| MonoisotopicMass | 574.949157 |
| CLogP | 5.267 |
| CLogS | -6.94 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 361.08 |
| Relative PSA | 0.23139 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 1.9231 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [2,4-dibromo-6-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [2,4-dibromo-6-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate