| MolName | (E)-3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-2-(2-oxopyridin-1-yl)prop-2-enamide |
| MolecularFormula | C19H19N2O3Cl |
| Smiles | O=C(/C(/N(C=CC=C1)C1=O)=C\c(cccc1)c1Cl)NCC1OCCC1 |
| InChI | InChI=1S/C19H19ClN2O3/c20-16-8-2-1-6-14(16)12-17(22-10-4-3-9-18(22)23)19(24)21-13-15-7-5-11-25-15/h1-4,6,8-10,12,15H,5,7,11,13H2,(H,21,24)/t15-/m1/s1 |
| InChIK | YJMLUZHWKQDBID-OAHLLOKOSA-N |
| TotalMolweight | 358.824 |
| Molweight | 358.824 |
| MonoisotopicMass | 358.10842 |
| CLogP | 2.4108 |
| CLogS | -3.907 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 274.19 |
| Relative PSA | 0.18633 |
| PolarSurfaceArea | 58.64 |
| Druglikeness | 1.5795 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Amides | 2 |
| StereoCon | racemate |
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1 - (E)-3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-2-(2-oxopyridin-1-yl)prop-2-enamide | 2 - (E)-3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-2-(2-oxopyridin-1-yl)prop-2-enamide