N-[(Z)-(4-chlorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
Formula:C13H14N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide |
| MolecularFormula | C13H14N3O2Cl |
| Smiles | O=C(C(N1CCCC1)=O)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C13H14ClN3O2/c14-11-5-3-10(4-6-11)9-15-16-12(18)13(19)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2,(H,16,18) |
| InChIK | WTUWXBFOECIUPZ-UHFFFAOYSA-N |
| TotalMolweight | 279.726 |
| Molweight | 279.726 |
| MonoisotopicMass | 279.077454 |
| CLogP | 2.0987 |
| CLogS | -3.078 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 212.24 |
| Relative PSA | 0.24783 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 5.5212 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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