(3S)-N-[(Z)-(4-iodophenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide
Formula:C18H16N3O2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3S)-N-[(Z)-(4-iodophenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide is a drug-like molecule.
| MolName | (3S)-N-[(Z)-(4-iodophenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide |
| MolecularFormula | C18H16N3O2I |
| Smiles | O=C([C@@H](CC1=O)CN1c1ccccc1)N/N=C\c(cc1)ccc1I |
| InChI | InChI=1S/C18H16IN3O2/c19-15-8-6-13(7-9-15)11-20-21-18(24)14-10-17(23)22(12-14)16-4-2-1-3-5-16/h1-9,11,14H,10,12H2,(H,21,24)/t14-/m0/s1 |
| InChIK | VBDQLLHRZVDXGA-AWEZNQCLSA-N |
| TotalMolweight | 433.244 |
| Molweight | 433.244 |
| MonoisotopicMass | 433.028725 |
| CLogP | 3.0714 |
| CLogS | -5.063 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 267.84 |
| Relative PSA | 0.19639 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 7.9025 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | this enantiomer |
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