| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9K28W7PM6N |
| EPA CompTox | DTXSID0047084 |
Structure
| InChI Key | IGJQUJNPMOYEJY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H7N1O1 |
| Molecular Weight | 109.05 |
| AlogP | 1.22 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 32.86 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1072-83-9 |
| NORMAN SUSDAT | |
| FDA SRS | 9K28W7PM6N |
| PubChem | 14079 |
| ChemSpider | 13459.0 |
CONTENTS
