5-bromo-N-[(Z)-(2-fluorophenyl)methylideneamino]furan-2-carboxamide
Formula:C12H8N2O2BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(Z)-(2-fluorophenyl)methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-(2-fluorophenyl)methylideneamino]furan-2-carboxamide |
| MolecularFormula | C12H8N2O2BrF |
| Smiles | O=C(c(o1)ccc1Br)N/N=C\c(cccc1)c1F |
| InChI | InChI=1S/C12H8BrFN2O2/c13-11-6-5-10(18-11)12(17)16-15-7-8-3-1-2-4-9(8)14/h1-7H,(H,16,17) |
| InChIK | JYOIUDIUZAVKBI-UHFFFAOYSA-N |
| TotalMolweight | 311.11 |
| Molweight | 311.11 |
| MonoisotopicMass | 309.975317 |
| CLogP | 3.3137 |
| CLogS | -4.314 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 201.66 |
| Relative PSA | 0.24854 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 0.95682 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| StereoCon |
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