(E)-3-(4-chlorophenyl)-N-morpholin-4-ylprop-2-enamide
Formula:C13H15N2O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(4-chlorophenyl)-N-morpholin-4-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)-N-morpholin-4-ylprop-2-enamide |
| MolecularFormula | C13H15N2O2Cl |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)NN1CCOCC1 |
| InChI | InChI=1S/C13H15ClN2O2/c14-12-4-1-11(2-5-12)3-6-13(17)15-16-7-9-18-10-8-16/h1-6H,7-10H2,(H,15,17) |
| InChIK | RQIWAICLAFFNLL-UHFFFAOYSA-N |
| TotalMolweight | 266.727 |
| Molweight | 266.727 |
| MonoisotopicMass | 266.082205 |
| CLogP | 0.8427 |
| CLogS | -2.526 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 206.23 |
| Relative PSA | 0.1845 |
| PolarSurfaceArea | 41.57 |
| Druglikeness | 1.3191 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| StereoCon |
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