| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50145430 |
Structure
| InChI Key | PGMBORLSOHYBFJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H15N1O1 |
| Molecular Weight | 177.12 |
| AlogP | 3.46 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 32.59 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 10264-18-3 |
| NORMAN SUSDAT | |
| PubChem | 82501 |
| ChemSpider | 74454.0 |
CONTENTS
