N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
Formula:C18H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide |
| MolecularFormula | C18H17N3O3 |
| Smiles | Oc1cccc(/C=N\NC(C(C(CN2)c3ccccc3)C2=O)=O)c1 |
| InChI | InChI=1S/C18H17N3O3/c22-14-8-4-5-12(9-14)10-20-21-18(24)16-15(11-19-17(16)23)13-6-2-1-3-7-13/h1-10,15-16,22H,11H2,(H,19,23)(H,21,24) |
| InChIK | JGBDMEVCJNIRPI-UHFFFAOYSA-N |
| TotalMolweight | 323.351 |
| Molweight | 323.351 |
| MonoisotopicMass | 323.126992 |
| CLogP | 2.2849 |
| CLogS | -3.501 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 247.81 |
| Relative PSA | 0.29704 |
| PolarSurfaceArea | 90.79 |
| Druglikeness | 6.9033 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | unknown chirality |
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