(E)-3-morpholin-4-yl-1-(4-nitrophenyl)-3-phenylprop-2-en-1-one
Formula:C19H18N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-morpholin-4-yl-1-(4-nitrophenyl)-3-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-morpholin-4-yl-1-(4-nitrophenyl)-3-phenylprop-2-en-1-one |
| MolecularFormula | C19H18N2O4 |
| Smiles | [O-][N+](c(cc1)ccc1C(/C=C(\c1ccccc1)/N1CCOCC1)=O)=O |
| InChI | InChI=1S/C19H18N2O4/c22-19(16-6-8-17(9-7-16)21(23)24)14-18(15-4-2-1-3-5-15)20-10-12-25-13-11-20/h1-9,14H,10-13H2 |
| InChIK | GHVSMYVWOHVILP-UHFFFAOYSA-N |
| TotalMolweight | 338.362 |
| Molweight | 338.362 |
| MonoisotopicMass | 338.126658 |
| CLogP | 1.8663 |
| CLogS | -3.53 |
| H Acceptors | 6 |
| TotalSurfaceArea | 260.99 |
| Relative PSA | 0.21844 |
| PolarSurfaceArea | 75.36 |
| Druglikeness | -2.3902 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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