(E)-N-(2-morpholin-4-ium-4-ylethyl)-3-thiophen-2-ylprop-2-enamide
Formula:C13H19N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-morpholin-4-ium-4-ylethyl)-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-morpholin-4-ium-4-ylethyl)-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C13H19N2O2S |
| Smiles | O=C(/C=C/c1cccs1)NCC[NH+]1CCOCC1 |
| InChI | InChI=1S/C13H18N2O2S/c16-13(4-3-12-2-1-11-18-12)14-5-6-15-7-9-17-10-8-15/h1-4,11H,5-10H2,(H,14,16)/p+1 |
| InChIK | UXBNISSVUZWJSP-UHFFFAOYSA-O |
| TotalMolweight | 267.372 |
| Molweight | 267.372 |
| MonoisotopicMass | 267.116723 |
| CLogP | -1.1467 |
| CLogS | -1.491 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 228.31 |
| Relative PSA | 0.31733 |
| PolarSurfaceArea | 71.01 |
| Druglikeness | 0.11136 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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