(E)-3-morpholin-4-yl-N-(4-nitrophenyl)-3-phenylprop-2-enamide
Formula:C19H19N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-morpholin-4-yl-N-(4-nitrophenyl)-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-morpholin-4-yl-N-(4-nitrophenyl)-3-phenylprop-2-enamide |
| MolecularFormula | C19H19N3O4 |
| Smiles | [O-][N+](c(cc1)ccc1NC(/C=C(\c1ccccc1)/N1CCOCC1)=O)=O |
| InChI | InChI=1S/C19H19N3O4/c23-19(20-16-6-8-17(9-7-16)22(24)25)14-18(15-4-2-1-3-5-15)21-10-12-26-13-11-21/h1-9,14H,10-13H2,(H,20,23) |
| InChIK | GLWIZCWLGOTQJV-UHFFFAOYSA-N |
| TotalMolweight | 353.377 |
| Molweight | 353.377 |
| MonoisotopicMass | 353.137557 |
| CLogP | 1.6988 |
| CLogS | -3.188 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 272.45 |
| Relative PSA | 0.25131 |
| PolarSurfaceArea | 87.39 |
| Druglikeness | -3.77 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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