| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | E5T11I2JUB |
| EPA CompTox | DTXSID1047021 |
Structure
| InChI Key | KXKCTSZYNCDFFG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7N1O4 |
| Molecular Weight | 169.04 |
| AlogP | 1.31 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 72.6 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 636-93-1 |
| NORMAN SUSDAT | |
| FDA SRS | E5T11I2JUB |
| PubChem | 69471 |
| ChemSpider | 62678.0 |
CONTENTS
