2-oxo-2-pyrrolidin-1-yl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C11H13N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-oxo-2-pyrrolidin-1-yl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-oxo-2-pyrrolidin-1-yl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C11H13N3O2S |
| Smiles | O=C(C(N1CCCC1)=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C11H13N3O2S/c15-10(11(16)14-5-1-2-6-14)13-12-8-9-4-3-7-17-9/h3-4,7-8H,1-2,5-6H2,(H,13,15) |
| InChIK | NQYDVCNNQCWHAJ-UHFFFAOYSA-N |
| TotalMolweight | 251.309 |
| Molweight | 251.309 |
| MonoisotopicMass | 251.072847 |
| CLogP | 1.3593 |
| CLogS | -2.352 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 192.76 |
| Relative PSA | 0.3785 |
| PolarSurfaceArea | 90.01 |
| Druglikeness | 6.7356 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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