| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 38NGV5BZ8W |
| EPA CompTox | DTXSID80215574 |
Structure
| InChI Key | BSMKYQUHXQAVKG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H11N1O2 |
| Molecular Weight | 165.08 |
| AlogP | 2.72 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 43.14 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6526-72-3 |
| NORMAN SUSDAT | |
| FDA SRS | 38NGV5BZ8W |
| PubChem | 81013 |
| ChemSpider | 73091.0 |
CONTENTS
