| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 1WBF92D66N |
| EPA CompTox | DTXSID20862602 |
Structure
| InChI Key | XXCCGRRUBBGZRE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H19N1O3 |
| Molecular Weight | 225.14 |
| AlogP | 1.43 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 61.72 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1212-03-9 |
| NORMAN SUSDAT | |
| FDA SRS | 1WBF92D66N |
CONTENTS
