N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-phenoxyacetamide
Formula:C13H11N2O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-phenoxyacetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-phenoxyacetamide |
| MolecularFormula | C13H11N2O3Br |
| Smiles | O=C(COc1ccccc1)N/N=C\c(o1)ccc1Br |
| InChI | InChI=1S/C13H11BrN2O3/c14-12-7-6-11(19-12)8-15-16-13(17)9-18-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17) |
| InChIK | SGMPPKIENXUZLN-UHFFFAOYSA-N |
| TotalMolweight | 323.145 |
| Molweight | 323.145 |
| MonoisotopicMass | 321.995304 |
| CLogP | 2.7878 |
| CLogS | -3.78 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 219.07 |
| Relative PSA | 0.27443 |
| PolarSurfaceArea | 63.83 |
| Druglikeness | 3.1003 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-phenoxyacetamide | 2 - N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-phenoxyacetamide
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