| MolName | 2-chloro-N-[(Z)-1-(4-hydroxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C20H19N2O4Cl |
| Smiles | Oc1ccc(/C=C(/C(N2CCOCC2)=O)\NC(c(cccc2)c2Cl)=O)cc1 |
| InChI | InChI=1S/C20H19ClN2O4/c21-17-4-2-1-3-16(17)19(25)22-18(13-14-5-7-15(24)8-6-14)20(26)23-9-11-27-12-10-23/h1-8,13,24H,9-12H2,(H,22,25) |
| InChIK | FZFLHLIAJNPAHN-UHFFFAOYSA-N |
| TotalMolweight | 386.834 |
| Molweight | 386.834 |
| MonoisotopicMass | 386.103335 |
| CLogP | 3.2109 |
| CLogS | -3.511 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 288.3 |
| Relative PSA | 0.22265 |
| PolarSurfaceArea | 78.87 |
| Druglikeness | 4.8949 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - 2-chloro-N-[(Z)-1-(4-hydroxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide | 2 - 2-chloro-N-[(Z)-1-(4-hydroxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide