| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4G4Z4676IS |
| EPA CompTox | DTXSID30235484 |
Structure
| InChI Key | QOVUZUCXPAZXDZ-RXMQYKEDSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H13N5O3 |
| Molecular Weight | 239.1 |
| AlogP | -1.31 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 131.04 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 86304-28-1 |
| NORMAN SUSDAT | |
| FDA SRS | 4G4Z4676IS |
CONTENTS
