N-[(Z)-benzylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
Formula:C13H15N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide |
| MolecularFormula | C13H15N3O2 |
| Smiles | O=C(C(N1CCCC1)=O)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C13H15N3O2/c17-12(13(18)16-8-4-5-9-16)15-14-10-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,15,17) |
| InChIK | IZOSCMNIGVSFKI-UHFFFAOYSA-N |
| TotalMolweight | 245.281 |
| Molweight | 245.281 |
| MonoisotopicMass | 245.116427 |
| CLogP | 1.4927 |
| CLogS | -2.342 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 196.82 |
| Relative PSA | 0.26725 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 5.5112 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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