5-bromo-N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]pyridine-3-carboxamide
Formula:C11H6N3O2Br3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C11H6N3O2Br3 |
| Smiles | O=C(c1cc(Br)cnc1)N/N=C/c(o1)cc(Br)c1Br |
| InChI | InChI=1S/C11H6Br3N3O2/c12-7-1-6(3-15-4-7)11(18)17-16-5-8-2-9(13)10(14)19-8/h1-5H,(H,17,18) |
| InChIK | KPXXNJGYBHMAKO-UHFFFAOYSA-N |
| TotalMolweight | 451.9 |
| Molweight | 451.9 |
| MonoisotopicMass | 448.80101 |
| CLogP | 3.6624 |
| CLogS | -4.873 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 231.33 |
| Relative PSA | 0.26408 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | -0.90666 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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