N-[(Z)-naphthalen-1-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
Formula:C17H17N3O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-naphthalen-1-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide |
| MolecularFormula | C17H17N3O2 |
| Smiles | O=C(C(N1CCCC1)=O)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C17H17N3O2/c21-16(17(22)20-10-3-4-11-20)19-18-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9,12H,3-4,10-11H2,(H,19,21) |
| InChIK | FDXMQRNMJVMXBZ-UHFFFAOYSA-N |
| TotalMolweight | 295.341 |
| Molweight | 295.341 |
| MonoisotopicMass | 295.132077 |
| CLogP | 2.6871 |
| CLogS | -3.948 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 231.42 |
| Relative PSA | 0.22729 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 5.5112 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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