| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8C0QV5JK0D |
| EPA CompTox | DTXSID1060685 |
| InChI Key | XREKTVACBXQCSB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H4I2O3 |
| Molecular Weight | 389.82 |
| AlogP | 2.3 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 57.53 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 618-76-8 |
| NORMAN SUSDAT | |
| FDA SRS | 8C0QV5JK0D |
| PubChem | 12065 |
| ChemSpider | 11568.0 |