| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | SJ32C57QGA |
| EPA CompTox | DTXSID8065826 |
Structure
| InChI Key | VFJRXOXKSUBBMR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H9N1O1 |
| Molecular Weight | 123.07 |
| AlogP | 0.88 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 26.94 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 14906-55-9 |
| NORMAN SUSDAT | |
| FDA SRS | SJ32C57QGA |
| PubChem | 84683 |
| ChemSpider | 76308.0 |
CONTENTS
