2-morpholin-4-ium-4-ylethyl (E)-3-(furan-2-yl)prop-2-enoate
Formula:C13H18NO4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-morpholin-4-ium-4-ylethyl (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | 2-morpholin-4-ium-4-ylethyl (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C13H18NO4 |
| Smiles | O=C(/C=C/c1ccco1)OCC[NH+]1CCOCC1 |
| InChI | InChI=1S/C13H17NO4/c15-13(4-3-12-2-1-8-17-12)18-11-7-14-5-9-16-10-6-14/h1-4,8H,5-7,9-11H2/p+1 |
| InChIK | VZCQQUSMQBSRFV-UHFFFAOYSA-O |
| TotalMolweight | 252.289 |
| Molweight | 252.289 |
| MonoisotopicMass | 252.123584 |
| CLogP | -1.3504 |
| CLogS | -1.299 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 220.6 |
| Relative PSA | 0.29347 |
| PolarSurfaceArea | 53.11 |
| Druglikeness | -4.6315 |
| Mutagenic | high |
| 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 | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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