| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9GE9QOP0ET |
| EPA CompTox | DTXSID90863121 |
Structure
| InChI Key | STVVMTBJNDTZBF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H13NO |
| Molecular Weight | 151.1 |
| AlogP | 0.55 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 46.25 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 16088-07-6 |
| NORMAN SUSDAT | |
| FDA SRS | 9GE9QOP0ET |
CONTENTS
