(4Z)-4-[(2-hydroxy-3,5-diiodophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
Formula:C16H10N2O3I2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4Z)-4-[(2-hydroxy-3,5-diiodophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione is not a drug-like molecule.
| MolName | (4Z)-4-[(2-hydroxy-3,5-diiodophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione |
| MolecularFormula | C16H10N2O3I2 |
| Smiles | Oc(c(/C=C(/C(NN1c2ccccc2)=O)\C1=O)cc(I)c1)c1I |
| InChI | InChI=1S/C16H10I2N2O3/c17-10-6-9(14(21)13(18)8-10)7-12-15(22)19-20(16(12)23)11-4-2-1-3-5-11/h1-8,21H,(H,19,22) |
| InChIK | FEXPGQJRONQLMC-UHFFFAOYSA-N |
| TotalMolweight | 532.066 |
| Molweight | 532.066 |
| MonoisotopicMass | 531.878089 |
| CLogP | 1.8721 |
| CLogS | -4.626 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 260.4 |
| Relative PSA | 0.2081 |
| PolarSurfaceArea | 69.64 |
| Druglikeness | 4.5454 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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