| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4V4WOT91ND |
| EPA CompTox | DTXSID7044712 |
Structure
| InChI Key | DAJPMKAQEUGECW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H14O2 |
| Molecular Weight | 166.1 |
| AlogP | 1.98 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6770-38-3 |
| NORMAN SUSDAT | |
| FDA SRS | 4V4WOT91ND |
| PubChem | 81239 |
| ChemSpider | 73296.0 |
CONTENTS
