| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 85SLJ43EKE |
| EPA CompTox | DTXSID10207826 |
Structure
| InChI Key | YJRCDSXLKPERNV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H13N3O2 |
| Molecular Weight | 207.1 |
| AlogP | 1.0 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 58.41 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 59084-06-9 |
| NORMAN SUSDAT | |
| FDA SRS | 85SLJ43EKE |
| PubChem | 100949 |
| ChemSpider | 91204.0 |
CONTENTS
