| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | PR4Z85A4HR |
| EPA CompTox | DTXSID30208294 |
Structure
| InChI Key | NGYGUYRBWLUDRP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H11N5 |
| Molecular Weight | 153.1 |
| AlogP | -0.35 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 92.17 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5962-23-2 |
| NORMAN SUSDAT | |
| FDA SRS | PR4Z85A4HR |
| PubChem | 22252 |
| ChemSpider | 20891.0 |
CONTENTS
