| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10204431 |
Structure
| InChI Key | AZEIRPAUJXANCS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H11N1O2 |
| Molecular Weight | 165.08 |
| AlogP | 1.18 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 52.32 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 55836-71-0 |
| NORMAN SUSDAT | |
| PubChem | 108776 |
| ChemSpider | 2998.0 |
CONTENTS
