| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2KJ86X9T9R |
| EPA CompTox | DTXSID30185738 |
Structure
| InChI Key | QJRWYBIKLXNYLF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H9N1O1 |
| Molecular Weight | 147.07 |
| AlogP | 2.18 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 25.02 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3189-13-7 |
| NORMAN SUSDAT | |
| FDA SRS | 2KJ86X9T9R |
| PubChem | 76659 |
| ChemSpider | 6501.0 |
CONTENTS
