| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | JCJ6M4A3I5 |
| EPA CompTox | DTXSID7021366 |
Structure
| InChI Key | DMSHKWHLXNDUST-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H10N2O1 |
| Molecular Weight | 150.08 |
| AlogP | 1.9 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 56.11 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 622-51-5 |
| NORMAN SUSDAT | |
| FDA SRS | JCJ6M4A3I5 |
| PubChem | 12148 |
| ChemSpider | 11649.0 |
CONTENTS
