| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 80E31RDQ9T |
| EPA CompTox | DTXSID7070688 |
Structure
| InChI Key | ROWQNTVAFQMDSV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H10N2O1 |
| Molecular Weight | 138.08 |
| AlogP | 1.05 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 35.01 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 67845-38-9 |
| NORMAN SUSDAT | |
| FDA SRS | 80E31RDQ9T |
CONTENTS
