| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID20884465 |
Structure
| InChI Key | HHKUQCFQGCCLGA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H19NO3 |
| Molecular Weight | 177.14 |
| AlogP | -0.96 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 63.93 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 10353-86-3 |
| NORMAN SUSDAT | |
| PubChem | 66315 |
CONTENTS
