(E)-4-morpholin-4-yl-4-oxobut-2-enoate
Formula:C8H10NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-morpholin-4-yl-4-oxobut-2-enoate is a drug-like molecule.
| MolName | (E)-4-morpholin-4-yl-4-oxobut-2-enoate |
| MolecularFormula | C8H10NO4 |
| Smiles | [O-]C(/C=C/C(N1CCOCC1)=O)=O |
| InChI | InChI=1S/C8H11NO4/c10-7(1-2-8(11)12)9-3-5-13-6-4-9/h1-2H,3-6H2,(H,11,12)/p-1 |
| InChIK | FCTFTKXWJQFGLI-UHFFFAOYSA-M |
| TotalMolweight | 184.17 |
| Molweight | 184.17 |
| MonoisotopicMass | 184.060984 |
| CLogP | -2.8056 |
| CLogS | 0.057 |
| H Acceptors | 5 |
| TotalSurfaceArea | 144.87 |
| Relative PSA | 0.37213 |
| PolarSurfaceArea | 69.67 |
| Druglikeness | 1.7806 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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