| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | H4L4UA4Y3J |
| EPA CompTox | DTXSID60227812 |
Structure
| InChI Key | GDXMFFGTPGAGGX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H13N1 |
| Molecular Weight | 171.1 |
| AlogP | 3.02 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 23.79 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 77-57-6 |
| NORMAN SUSDAT | |
| FDA SRS | H4L4UA4Y3J |
| PubChem | 66168 |
| ChemSpider | 59555.0 |
CONTENTS
