(4Z)-1-(4-iodophenyl)-4-[(3-iodophenyl)methylidene]pyrazolidine-3,5-dione
Formula:C16H10N2O2I2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-1-(4-iodophenyl)-4-[(3-iodophenyl)methylidene]pyrazolidine-3,5-dione is not a drug-like molecule.
| MolName | (4Z)-1-(4-iodophenyl)-4-[(3-iodophenyl)methylidene]pyrazolidine-3,5-dione |
| MolecularFormula | C16H10N2O2I2 |
| Smiles | O=C(/C(/C1=O)=C/c2cccc(I)c2)NN1c(cc1)ccc1I |
| InChI | InChI=1S/C16H10I2N2O2/c17-11-4-6-13(7-5-11)20-16(22)14(15(21)19-20)9-10-2-1-3-12(18)8-10/h1-9H,(H,19,21) |
| InChIK | NNXKBTRYRIAWPV-UHFFFAOYSA-N |
| TotalMolweight | 516.067 |
| Molweight | 516.067 |
| MonoisotopicMass | 515.883174 |
| CLogP | 2.2178 |
| CLogS | -4.922 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 254.05 |
| Relative PSA | 0.16174 |
| PolarSurfaceArea | 49.41 |
| Druglikeness | 4.5585 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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