(E)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylprop-2-enamide
Formula:C15H21N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylprop-2-enamide |
| MolecularFormula | C15H21N2O2 |
| Smiles | O=C(/C=C/c1ccccc1)NCC[NH+]1CCOCC1 |
| InChI | InChI=1S/C15H20N2O2/c18-15(7-6-14-4-2-1-3-5-14)16-8-9-17-10-12-19-13-11-17/h1-7H,8-13H2,(H,16,18)/p+1 |
| InChIK | POHOCARNKLTJBC-UHFFFAOYSA-O |
| TotalMolweight | 261.344 |
| Molweight | 261.344 |
| MonoisotopicMass | 261.160303 |
| CLogP | -1.0133 |
| CLogS | -1.481 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 232.37 |
| Relative PSA | 0.22417 |
| PolarSurfaceArea | 42.77 |
| Druglikeness | -1.9159 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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