| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | T4B8USQ3SN |
| EPA CompTox | DTXSID70219824 |
Structure
| InChI Key | MCZGYWBDNZZZTJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H18O1 |
| Molecular Weight | 190.14 |
| AlogP | 3.15 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6957-09-1 |
| NORMAN SUSDAT | |
| FDA SRS | T4B8USQ3SN |
| PubChem | 81405 |
| ChemSpider | 73453.0 |
CONTENTS
