(4Z)-4-[hydroxy(phenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione
Formula:C15H11NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4Z)-4-[hydroxy(phenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4Z)-4-[hydroxy(phenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione |
| MolecularFormula | C15H11NO3S |
| Smiles | O/C(/c1ccccc1)=C(/C(c1cccs1)NC1=O)\C1=O |
| InChI | InChI=1S/C15H11NO3S/c17-13(9-5-2-1-3-6-9)11-12(10-7-4-8-20-10)16-15(19)14(11)18/h1-8,12,17H,(H,16,19)/t12-/m0/s1 |
| InChIK | RJPYGCYATQQYPN-LBPRGKRZSA-N |
| TotalMolweight | 285.322 |
| Molweight | 285.322 |
| MonoisotopicMass | 285.045964 |
| CLogP | 1.5528 |
| CLogS | -2.52 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 204.19 |
| Relative PSA | 0.34772 |
| PolarSurfaceArea | 94.64 |
| Druglikeness | 1.3286 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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