N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
Formula:C13H13N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide |
| MolecularFormula | C13H13N3O2Cl2 |
| Smiles | O=C(C(N1CCCC1)=O)N/N=C\c1cccc(Cl)c1Cl |
| InChI | InChI=1S/C13H13Cl2N3O2/c14-10-5-3-4-9(11(10)15)8-16-17-12(19)13(20)18-6-1-2-7-18/h3-5,8H,1-2,6-7H2,(H,17,19) |
| InChIK | ZFFSPQQWMXXAMB-UHFFFAOYSA-N |
| TotalMolweight | 314.171 |
| Molweight | 314.171 |
| MonoisotopicMass | 313.038481 |
| CLogP | 2.7047 |
| CLogS | -3.814 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 227.66 |
| Relative PSA | 0.23105 |
| 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 | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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