| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | A5859QV29X |
| EPA CompTox | DTXSID8059473 |
Structure
| InChI Key | KDFFXYVOTKKBDI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H13N1 |
| Molecular Weight | 171.1 |
| AlogP | 3.27 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 12.03 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 118-44-5 |
| NORMAN SUSDAT | |
| FDA SRS | A5859QV29X |
| PubChem | 67043 |
| ChemSpider | 60394.0 |
CONTENTS
