| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2DJ9HKF6NG |
| EPA CompTox | DTXSID50194589 |
Structure
| InChI Key | LJMQIGMMUZLDOC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H12N2O3 |
| Molecular Weight | 196.08 |
| AlogP | 0.88 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 77.07 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 41764-74-3 |
| NORMAN SUSDAT | |
| FDA SRS | 2DJ9HKF6NG |
| PubChem | 1530859 |
| ChemSpider | 1255493.0 |
CONTENTS
