(E)-N-(2-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide
Formula:C19H19N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide |
| MolecularFormula | C19H19N3O4 |
| Smiles | [O-][N+](c1ccc(/C=C/C(Nc(cccc2)c2N2CCOCC2)=O)cc1)=O |
| InChI | InChI=1S/C19H19N3O4/c23-19(10-7-15-5-8-16(9-6-15)22(24)25)20-17-3-1-2-4-18(17)21-11-13-26-14-12-21/h1-10H,11-14H2,(H,20,23) |
| InChIK | MQOWEEZVMNKSIM-UHFFFAOYSA-N |
| TotalMolweight | 353.377 |
| Molweight | 353.377 |
| MonoisotopicMass | 353.137557 |
| CLogP | 1.8837 |
| CLogS | -4.061 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 274.24 |
| Relative PSA | 0.24967 |
| PolarSurfaceArea | 87.39 |
| Druglikeness | -4.0588 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.61538 |
| 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 | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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