N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
Formula:C13H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide |
| MolecularFormula | C13H15N3O3 |
| Smiles | Oc1cccc(/C=N\NC(C(N2CCCC2)=O)=O)c1 |
| InChI | InChI=1S/C13H15N3O3/c17-11-5-3-4-10(8-11)9-14-15-12(18)13(19)16-6-1-2-7-16/h3-5,8-9,17H,1-2,6-7H2,(H,15,18) |
| InChIK | FBFKOQJENAEHBR-UHFFFAOYSA-N |
| TotalMolweight | 261.28 |
| Molweight | 261.28 |
| MonoisotopicMass | 261.111342 |
| CLogP | 1.147 |
| CLogS | -2.046 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 203.17 |
| Relative PSA | 0.32337 |
| PolarSurfaceArea | 82 |
| Druglikeness | 5.4837 |
| 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 | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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