| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 56XA5H7AWH |
| EPA CompTox | DTXSID20214425 |
Structure
| InChI Key | SRCAKTIYISIAIT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H11N1O2 |
| Molecular Weight | 153.08 |
| AlogP | 0.64 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 55.48 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6421-88-1 |
| NORMAN SUSDAT | |
| FDA SRS | 56XA5H7AWH |
| PubChem | 80892 |
| ChemSpider | 73010.0 |
CONTENTS
