| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | GE4B3RL7PK |
| EPA CompTox | DTXSID3052569 |
Structure
| InChI Key | YCANAXVBJKNANM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H7N1O4 |
| Molecular Weight | 253.04 |
| AlogP | 2.37 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 77.28 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 82-34-8 |
| NORMAN SUSDAT | |
| FDA SRS | GE4B3RL7PK |
| PubChem | 6704 |
| ChemSpider | 6448.0 |
CONTENTS
