| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 282MU82Z9A |
| EPA CompTox | DTXSID3025889 |
Structure
| InChI Key | CKRZKMFTZCFYGB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H7N1O1 |
| Molecular Weight | 109.05 |
| AlogP | 1.49 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 32.26 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 100-65-2 |
| NORMAN SUSDAT | |
| FDA SRS | 282MU82Z9A |
| PubChem | 7518 |
| ChemSpider | 7237.0 |
CONTENTS
