2-morpholin-4-ium-4-ylethyl (E)-3-phenylprop-2-enoate
Formula:C15H20NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-morpholin-4-ium-4-ylethyl (E)-3-phenylprop-2-enoate is a drug-like molecule.
| MolName | 2-morpholin-4-ium-4-ylethyl (E)-3-phenylprop-2-enoate |
| MolecularFormula | C15H20NO3 |
| Smiles | O=C(/C=C/c1ccccc1)OCC[NH+]1CCOCC1 |
| InChI | InChI=1S/C15H19NO3/c17-15(7-6-14-4-2-1-3-5-14)19-13-10-16-8-11-18-12-9-16/h1-7H,8-13H2/p+1 |
| InChIK | HSQZNMPPVBQMNP-UHFFFAOYSA-O |
| TotalMolweight | 262.328 |
| Molweight | 262.328 |
| MonoisotopicMass | 262.144319 |
| CLogP | -0.5391 |
| CLogS | -1.617 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 230.91 |
| Relative PSA | 0.21926 |
| PolarSurfaceArea | 39.97 |
| Druglikeness | -4.9595 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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