(E)-N-(3-morpholin-4-ylpropyl)-3-(4-nitrophenyl)prop-2-enamide
Formula:C16H21N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(3-morpholin-4-ylpropyl)-3-(4-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(3-morpholin-4-ylpropyl)-3-(4-nitrophenyl)prop-2-enamide |
| MolecularFormula | C16H21N3O4 |
| Smiles | [O-][N+](c1ccc(/C=C/C(NCCCN2CCOCC2)=O)cc1)=O |
| InChI | InChI=1S/C16H21N3O4/c20-16(17-8-1-9-18-10-12-23-13-11-18)7-4-14-2-5-15(6-3-14)19(21)22/h2-7H,1,8-13H2,(H,17,20) |
| InChIK | KCZLARWHFJWTCJ-UHFFFAOYSA-N |
| TotalMolweight | 319.36 |
| Molweight | 319.36 |
| MonoisotopicMass | 319.153207 |
| CLogP | -0.2973 |
| CLogS | -2.211 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 255.76 |
| Relative PSA | 0.26771 |
| PolarSurfaceArea | 87.39 |
| Druglikeness | -3.0555 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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