(3E)-3-(thiophen-2-ylmethylidene)piperazine-2,5-dione
Formula:C9H8N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-(thiophen-2-ylmethylidene)piperazine-2,5-dione is a drug-like molecule.
| MolName | (3E)-3-(thiophen-2-ylmethylidene)piperazine-2,5-dione |
| MolecularFormula | C9H8N2O2S |
| Smiles | O=C(CNC1=O)N/C1=C/c1cccs1 |
| InChI | InChI=1S/C9H8N2O2S/c12-8-5-10-9(13)7(11-8)4-6-2-1-3-14-6/h1-4H,5H2,(H,10,13)(H,11,12) |
| InChIK | PNQCDZYSJGCBOJ-UHFFFAOYSA-N |
| TotalMolweight | 208.241 |
| Molweight | 208.241 |
| MonoisotopicMass | 208.030648 |
| CLogP | 0.1552 |
| CLogS | -2.052 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 152.59 |
| Relative PSA | 0.45455 |
| PolarSurfaceArea | 86.44 |
| Druglikeness | 5.2233 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| Amides | 2 |
| StereoCon |
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1 - (3E)-3-(thiophen-2-ylmethylidene)piperazine-2,5-dione | 2 - (3E)-3-(thiophen-2-ylmethylidene)piperazine-2,5-dione
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