| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | PT77TJ86UG |
| EPA CompTox | DTXSID40185527 |
Structure
| InChI Key | QSHMWSLFNQLCNI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H13N1 |
| Molecular Weight | 147.1 |
| AlogP | 1.54 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 3.01 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3164-46-3 |
| NORMAN SUSDAT | |
| FDA SRS | PT77TJ86UG |
| PubChem | 76626 |
| ChemSpider | 69090.0 |
CONTENTS
