| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | L8CB43P9N8 |
| EPA CompTox | DTXSID70193776 |
Structure
| InChI Key | INYXZKUEDMCFSU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H15N1 |
| Molecular Weight | 173.12 |
| AlogP | 2.95 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 23.79 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 40784-95-0 |
| NORMAN SUSDAT | |
| FDA SRS | L8CB43P9N8 |
| PubChem | 170426 |
| ChemSpider | 149008.0 |
CONTENTS
