| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KKK6HU29FV |
| EPA CompTox | DTXSID80194310 |
Structure
| InChI Key | QQOXBFUTRLDXDP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H9N1O3 |
| Molecular Weight | 167.06 |
| AlogP | 0.76 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 72.55 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4136-97-4 |
| NORMAN SUSDAT | |
| FDA SRS | KKK6HU29FV |
| PubChem | 77787 |
| ChemSpider | 70184.0 |
CONTENTS
