| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4AR3P77VGM |
| EPA CompTox | DTXSID00233578 |
Structure
| InChI Key | DYBCZGAECZNGOJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H11N3 |
| Molecular Weight | 161.1 |
| AlogP | 1.51 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 62.7 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 84604-29-5 |
| NORMAN SUSDAT | |
| FDA SRS | 4AR3P77VGM |
| PubChem | 13350836 |
CONTENTS
