(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-thiophen-2-ylprop-2-enoate
Formula:C13H15NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-thiophen-2-ylprop-2-enoate is a drug-like molecule.
| MolName | (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-thiophen-2-ylprop-2-enoate |
| MolecularFormula | C13H15NO3S |
| Smiles | O=C(COC(/C=C/c1cccs1)=O)N1CCCC1 |
| InChI | InChI=1S/C13H15NO3S/c15-12(14-7-1-2-8-14)10-17-13(16)6-5-11-4-3-9-18-11/h3-6,9H,1-2,7-8,10H2 |
| InChIK | IXMFSKMUERYUCX-UHFFFAOYSA-N |
| TotalMolweight | 265.332 |
| Molweight | 265.332 |
| MonoisotopicMass | 265.077264 |
| CLogP | 1.9096 |
| CLogS | -2.228 |
| H Acceptors | 4 |
| TotalSurfaceArea | 206.8 |
| Relative PSA | 0.29009 |
| PolarSurfaceArea | 74.85 |
| Druglikeness | 3.8158 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| 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 | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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