N-[(Z)-(5-bromofuran-2-yl)methylideneamino]furan-2-carboxamide
Formula:C10H7N2O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromofuran-2-yl)methylideneamino]furan-2-carboxamide |
| MolecularFormula | C10H7N2O3Br |
| Smiles | O=C(c1ccco1)N/N=C\c(o1)ccc1Br |
| InChI | InChI=1S/C10H7BrN2O3/c11-9-4-3-7(16-9)6-12-13-10(14)8-2-1-5-15-8/h1-6H,(H,13,14) |
| InChIK | OATPEGGYABOLDP-UHFFFAOYSA-N |
| TotalMolweight | 283.081 |
| Molweight | 283.081 |
| MonoisotopicMass | 281.964004 |
| CLogP | 2.4016 |
| CLogS | -3.682 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 185 |
| Relative PSA | 0.34719 |
| PolarSurfaceArea | 67.74 |
| Druglikeness | 2.9735 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| StereoCon |
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