| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | HT6J2R5RAY |
| EPA CompTox | DTXSID80698388 |
Structure
| InChI Key | PHIMZXOSIVXOQK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H10N2O1 |
| Molecular Weight | 150.08 |
| AlogP | 1.3 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 42.85 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 54300-10-6 |
| NORMAN SUSDAT | |
| FDA SRS | HT6J2R5RAY |
CONTENTS
