5-bromo-N-[(Z)-furan-2-ylmethylideneamino]pyridine-3-carboxamide
Formula:C11H8N3O2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(Z)-furan-2-ylmethylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-furan-2-ylmethylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C11H8N3O2Br |
| Smiles | O=C(c1cc(Br)cnc1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C11H8BrN3O2/c12-9-4-8(5-13-6-9)11(16)15-14-7-10-2-1-3-17-10/h1-7H,(H,15,16) |
| InChIK | JLQLAKHNWVFBSV-UHFFFAOYSA-N |
| TotalMolweight | 294.108 |
| Molweight | 294.108 |
| MonoisotopicMass | 292.979988 |
| CLogP | 2.1146 |
| CLogS | -3.442 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 194.07 |
| Relative PSA | 0.31478 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | 2.3454 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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