| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50170106 |
Structure
| InChI Key | JIQBWPFLOVGXMI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H19N1O4 |
| Molecular Weight | 193.13 |
| AlogP | -1.72 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 73.16 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 17626-34-5 |
| NORMAN SUSDAT | |
| PubChem | 87197 |
| ChemSpider | 78658.0 |
CONTENTS
