| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 17NV064B2D |
| EPA CompTox | DTXSID0045175 |
Structure
| InChI Key | ITJNARMNRKSWTA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H21N1O2 |
| Molecular Weight | 271.16 |
| AlogP | 3.42 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 30.49 |
| Heavy Atoms | 20.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 53179-07-0 |
| NORMAN SUSDAT | |
| FDA SRS | 17NV064B2D |
| PubChem | 4500 |
| ChemSpider | 4344.0 |
CONTENTS
