N-[(Z)-(3-bromophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
Formula:C13H14N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide |
| MolecularFormula | C13H14N3O2Br |
| Smiles | O=C(C(N1CCCC1)=O)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C13H14BrN3O2/c14-11-5-3-4-10(8-11)9-15-16-12(18)13(19)17-6-1-2-7-17/h3-5,8-9H,1-2,6-7H2,(H,16,18) |
| InChIK | YXGONDBYIVWKLO-UHFFFAOYSA-N |
| TotalMolweight | 324.177 |
| Molweight | 324.177 |
| MonoisotopicMass | 323.026938 |
| CLogP | 2.2179 |
| CLogS | -3.176 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 215.45 |
| Relative PSA | 0.24414 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 3.7212 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.63158 |
| 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 | 2 |
| Amides | 1 |
| StereoCon |
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