| MolName | 2-chloro-N-[(E)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide |
| MolecularFormula | C19H18N3O3Cl |
| Smiles | O=C(/C(/NC(c(cccc1)c1Cl)=O)=C\c1cnccc1)N1CCOCC1 |
| InChI | InChI=1S/C19H18ClN3O3/c20-16-6-2-1-5-15(16)18(24)22-17(12-14-4-3-7-21-13-14)19(25)23-8-10-26-11-9-23/h1-7,12-13H,8-11H2,(H,22,24) |
| InChIK | GVYTXZQSVOHGDN-UHFFFAOYSA-N |
| TotalMolweight | 371.823 |
| Molweight | 371.823 |
| MonoisotopicMass | 371.103669 |
| CLogP | 2.5557 |
| CLogS | -3.012 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 280.71 |
| Relative PSA | 0.22108 |
| PolarSurfaceArea | 71.53 |
| Druglikeness | 4.8888 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-chloro-N-[(E)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide | 2 - 2-chloro-N-[(E)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide