| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID90192660 |
Structure
| InChI Key | CJJLEUQMMMLOFI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H11N1O1 |
| Molecular Weight | 137.08 |
| AlogP | 1.59 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 35.25 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 39538-68-6 |
| NORMAN SUSDAT | |
| PubChem | 170219 |
| ChemSpider | 148835.0 |
CONTENTS
