| MolName | [2-(naphthalen-2-ylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C19H15NO4 |
| Smiles | O=C(COC(/C=C/c1ccco1)=O)Nc1cc2ccccc2cc1 |
| InChI | InChI=1S/C19H15NO4/c21-18(13-24-19(22)10-9-17-6-3-11-23-17)20-16-8-7-14-4-1-2-5-15(14)12-16/h1-12H,13H2,(H,20,21) |
| InChIK | ACTWBAUWSSRHCP-UHFFFAOYSA-N |
| TotalMolweight | 321.331 |
| Molweight | 321.331 |
| MonoisotopicMass | 321.100109 |
| CLogP | 3.0773 |
| CLogS | -4.689 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 254.53 |
| Relative PSA | 0.24221 |
| PolarSurfaceArea | 68.54 |
| Druglikeness | 0.17569 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [2-(naphthalen-2-ylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate | 2 - [2-(naphthalen-2-ylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate