| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID6069743 |
Structure
| InChI Key | NRZXBDYODHLZBF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H15N1O2 |
| Molecular Weight | 217.11 |
| AlogP | 1.9 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 40.54 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 63149-33-7 |
| NORMAN SUSDAT | |
| PubChem | 3930402 |
| ChemSpider | 101370.0 |
CONTENTS
