| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | HBO2D49I2S |
| EPA CompTox | DTXSID30176449 |
Structure
| InChI Key | RGZGRPPQZUQUCR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H17N |
| Molecular Weight | 175.14 |
| AlogP | 2.8 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 26.02 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2201-24-3 |
| NORMAN SUSDAT | |
| FDA SRS | HBO2D49I2S |
CONTENTS
