| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | DA5O61D538 |
| EPA CompTox | DTXSID6061608 |
Structure
| InChI Key | KLLREYQZEOLXHA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H12N2O1 |
| Molecular Weight | 152.09 |
| AlogP | 1.25 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 61.27 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1197-37-1 |
| NORMAN SUSDAT | |
| FDA SRS | DA5O61D538 |
| PubChem | 14532 |
| ChemSpider | 13875.0 |
CONTENTS
