| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 05LU01CS4T |
| EPA CompTox | DTXSID70198120 |
Structure
| InChI Key | PQFMNVGMJJMLAE-QMMMGPOBSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.09 |
| AlogP | 0.8 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 90.33 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4985-46-0 |
| NORMAN SUSDAT | |
| FDA SRS | 05LU01CS4T |
| PubChem | 151243 |
CONTENTS
