| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 0S9338U62H |
| EPA CompTox | DTXSID80870389 |
Structure
| InChI Key | JHFAEUICJHBVHB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7NO |
| Molecular Weight | 133.05 |
| AlogP | 1.87 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 2.0 |
| Polar Surface Area | 36.02 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 59-48-3 |
| NORMAN SUSDAT | |
| FDA SRS | 0S9338U62H |
CONTENTS
