[2,4-dibromo-6-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
Formula:C18H11N3O4Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[2,4-dibromo-6-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [2,4-dibromo-6-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C18H11N3O4Br2 |
| Smiles | O=C(c1ccco1)Oc(c(/C=N\NC(c1cnccc1)=O)cc(Br)c1)c1Br |
| InChI | InChI=1S/C18H11Br2N3O4/c19-13-7-12(10-22-23-17(24)11-3-1-5-21-9-11)16(14(20)8-13)27-18(25)15-4-2-6-26-15/h1-10H,(H,23,24) |
| InChIK | NNXSKJXKPFXYNW-UHFFFAOYSA-N |
| TotalMolweight | 493.11 |
| Molweight | 493.11 |
| MonoisotopicMass | 490.911629 |
| CLogP | 4.2703 |
| CLogS | -5.746 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 300.21 |
| Relative PSA | 0.28024 |
| PolarSurfaceArea | 93.79 |
| Druglikeness | 2.4127 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [2,4-dibromo-6-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate | 2 - [2,4-dibromo-6-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
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