(4E)-1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy(phenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione
Formula:C19H19NO5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy(phenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy(phenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione |
| MolecularFormula | C19H19NO5S |
| Smiles | OCCOCCN(C(c1cccs1)/C(/C1=O)=C(/c2ccccc2)\O)C1=O |
| InChI | InChI=1S/C19H19NO5S/c21-9-11-25-10-8-20-16(14-7-4-12-26-14)15(18(23)19(20)24)17(22)13-5-2-1-3-6-13/h1-7,12,16,21-22H,8-11H2/t16-/m0/s1 |
| InChIK | LQTIIJZOHBIGBC-INIZCTEOSA-N |
| TotalMolweight | 373.428 |
| Molweight | 373.428 |
| MonoisotopicMass | 373.098394 |
| CLogP | 1.1928 |
| CLogS | -1.872 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 274.42 |
| Relative PSA | 0.31408 |
| PolarSurfaceArea | 115.31 |
| Druglikeness | -1.0818 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy(phenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione | 2 - (4E)-1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy(phenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione
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