N-[(Z)-(2-nitrophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
Formula:C13H14N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-nitrophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-nitrophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide |
| MolecularFormula | C13H14N4O4 |
| Smiles | [O-][N+](c1c(/C=N\NC(C(N2CCCC2)=O)=O)cccc1)=O |
| InChI | InChI=1S/C13H14N4O4/c18-12(13(19)16-7-3-4-8-16)15-14-9-10-5-1-2-6-11(10)17(20)21/h1-2,5-6,9H,3-4,7-8H2,(H,15,18) |
| InChIK | ZBLQPQMZCNKCNS-UHFFFAOYSA-N |
| TotalMolweight | 290.278 |
| Molweight | 290.278 |
| MonoisotopicMass | 290.101506 |
| CLogP | 0.5711 |
| CLogS | -2.802 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 220.49 |
| Relative PSA | 0.37653 |
| PolarSurfaceArea | 107.59 |
| Druglikeness | 0.40815 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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