| MolName | (E)-N-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide |
| MolecularFormula | C19H14N2O4 |
| Smiles | [O-][N+](c(cc1)ccc1NC(/C=C/c1ccc(-c2ccccc2)o1)=O)=O |
| InChI | InChI=1S/C19H14N2O4/c22-19(20-15-6-8-16(9-7-15)21(23)24)13-11-17-10-12-18(25-17)14-4-2-1-3-5-14/h1-13H,(H,20,22) |
| InChIK | HDDIFXWTUPFVNJ-UHFFFAOYSA-N |
| TotalMolweight | 334.33 |
| Molweight | 334.33 |
| MonoisotopicMass | 334.095358 |
| CLogP | 3.1536 |
| CLogS | -5.418 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 261.85 |
| Relative PSA | 0.26362 |
| PolarSurfaceArea | 88.06 |
| Druglikeness | -4.0044 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-N-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide | 2 - (E)-N-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide