| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | YC8UH2CND7 |
| EPA CompTox | DTXSID90195994 |
Structure
| InChI Key | LVMPWFJVYMXSNY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H13N1O2 |
| Molecular Weight | 167.09 |
| AlogP | 1.16 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 44.48 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4393-09-3 |
| NORMAN SUSDAT | |
| FDA SRS | YC8UH2CND7 |
| PubChem | 78106 |
| ChemSpider | 17612.0 |
CONTENTS
