| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | A886B5N5IM |
| EPA CompTox | DTXSID8042002 |
| InChI Key | WHQOKFZWSDOTQP-UHFFFAOYNA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C10H13N1O4 |
| Molecular Weight | 211.08 |
| AlogP | -0.22 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 92.78 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 136-44-7 |
| NORMAN SUSDAT | |
| FDA SRS | A886B5N5IM |
| ChemSpider | 8368.0 |