[2,4-dibromo-6-[(Z)-(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] benzoate
Formula:C20H13N3O3Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[2,4-dibromo-6-[(Z)-(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [2,4-dibromo-6-[(Z)-(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] benzoate |
| MolecularFormula | C20H13N3O3Br2 |
| Smiles | O=C(c1ncccc1)N/N=C\c1cc(Br)cc(Br)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C20H13Br2N3O3/c21-15-10-14(12-24-25-19(26)17-8-4-5-9-23-17)18(16(22)11-15)28-20(27)13-6-2-1-3-7-13/h1-12H,(H,25,26) |
| InChIK | DZJQBKFWGHTSIR-UHFFFAOYSA-N |
| TotalMolweight | 503.149 |
| Molweight | 503.149 |
| MonoisotopicMass | 500.932364 |
| CLogP | 5.1356 |
| CLogS | -6.088 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 310.52 |
| Relative PSA | 0.22549 |
| PolarSurfaceArea | 80.65 |
| Druglikeness | 2.2076 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [2,4-dibromo-6-[(Z)-(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] benzoate | 2 - [2,4-dibromo-6-[(Z)-(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] benzoate
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