| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | NLX9TZ649P |
| EPA CompTox | DTXSID7043794 |
Structure
| InChI Key | PVBALTLWZVEAIO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5I2N1O3 |
| Molecular Weight | 404.84 |
| AlogP | 1.14 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 59.3 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 101-29-1 |
| NORMAN SUSDAT | |
| FDA SRS | NLX9TZ649P |
| PubChem | 9304 |
| ChemSpider | 8945.0 |
CONTENTS
