| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 696R5N4NRM |
Structure
| InChI Key | KPRZOPQOBJRYSW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H9NO |
| Molecular Weight | 123.07 |
| AlogP | 0.85 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 46.25 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 932-30-9 |
| NORMAN SUSDAT | |
| FDA SRS | 696R5N4NRM |
| PubChem | 70267 |
CONTENTS
