6-(2-iodophenyl)pyrrolo[3,4-b]pyridine-5,7-dione
Formula:C13H7N2O2I
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
6-(2-iodophenyl)pyrrolo[3,4-b]pyridine-5,7-dione is a drug-like molecule.
| MolName | 6-(2-iodophenyl)pyrrolo[3,4-b]pyridine-5,7-dione |
| MolecularFormula | C13H7N2O2I |
| Smiles | O=C(c1c(C2=O)nccc1)N2c(cccc1)c1I |
| InChI | InChI=1S/C13H7IN2O2/c14-9-5-1-2-6-10(9)16-12(17)8-4-3-7-15-11(8)13(16)18/h1-7H |
| InChIK | IZINTIKMRWYQRU-UHFFFAOYSA-N |
| TotalMolweight | 350.111 |
| Molweight | 350.111 |
| MonoisotopicMass | 349.955226 |
| CLogP | 1.979 |
| CLogS | -3.715 |
| H Acceptors | 4 |
| TotalSurfaceArea | 190.36 |
| Relative PSA | 0.21328 |
| PolarSurfaceArea | 50.27 |
| Druglikeness | 2.0475 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 6-(2-iodophenyl)pyrrolo[3,4-b]pyridine-5,7-dione | 2 - 6-(2-iodophenyl)pyrrolo[3,4-b]pyridine-5,7-dione
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