| MolName | [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C17H14N2O5 |
| Smiles | O=C(COC(/C=C/c1ccco1)=O)N(C1)c(cccc2)c2NC1=O |
| InChI | InChI=1S/C17H14N2O5/c20-15-10-19(14-6-2-1-5-13(14)18-15)16(21)11-24-17(22)8-7-12-4-3-9-23-12/h1-9H,10-11H2,(H,18,20) |
| InChIK | ZXVAOXMLWAPLPL-UHFFFAOYSA-N |
| TotalMolweight | 326.307 |
| Molweight | 326.307 |
| MonoisotopicMass | 326.090273 |
| CLogP | 0.9062 |
| CLogS | -3.247 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 248.24 |
| Relative PSA | 0.31518 |
| PolarSurfaceArea | 88.85 |
| Druglikeness | 2.575 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Amides | 2 |
| StereoCon |
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1 - [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(furan-2-yl)prop-2-enoate | 2 - [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(furan-2-yl)prop-2-enoate