| MolName | (E)-3-(5-nitrofuran-2-yl)-N-phenylprop-2-enamide |
| MolecularFormula | C13H10N2O4 |
| Smiles | [O-][N+](c1ccc(/C=C/C(Nc2ccccc2)=O)o1)=O |
| InChI | InChI=1S/C13H10N2O4/c16-12(14-10-4-2-1-3-5-10)8-6-11-7-9-13(19-11)15(17)18/h1-9H,(H,14,16) |
| InChIK | DYNJFENCTXKCGG-UHFFFAOYSA-N |
| TotalMolweight | 258.232 |
| Molweight | 258.232 |
| MonoisotopicMass | 258.064058 |
| CLogP | 1.7548 |
| CLogS | -4.165 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 202.09 |
| Relative PSA | 0.34158 |
| PolarSurfaceArea | 88.06 |
| Druglikeness | -3.1014 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-3-(5-nitrofuran-2-yl)-N-phenylprop-2-enamide | 2 - (E)-3-(5-nitrofuran-2-yl)-N-phenylprop-2-enamide