| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 39S5ZJ6SYN |
| EPA CompTox | DTXSID4046573 |
Structure
| InChI Key | UVGTXNPVQOQFQW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H3I2N1O3 |
| Molecular Weight | 390.82 |
| AlogP | 2.51 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 63.37 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 305-85-1 |
| NORMAN SUSDAT | |
| FDA SRS | 39S5ZJ6SYN |
| PubChem | 9370 |
| ChemSpider | 9002.0 |
CONTENTS
