| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | J2TPT86IRJ |
| EPA CompTox | DTXSID2025763 |
Structure
| InChI Key | SLRIOXRBAPBGEI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H9N1O3 |
| Molecular Weight | 167.06 |
| AlogP | 1.13 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 63.37 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 15121-84-3 |
| NORMAN SUSDAT | |
| FDA SRS | J2TPT86IRJ |
| PubChem | 27054 |
| ChemSpider | 25177.0 |
CONTENTS
