| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 95PY16J933 |
| EPA CompTox | DTXSID50152361 |
Structure
| InChI Key | OTPPJICEBWOCKD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H17N3 |
| Molecular Weight | 251.14 |
| AlogP | 3.72 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 21.06 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 119257-34-0 |
| NORMAN SUSDAT | |
| FDA SRS | 95PY16J933 |
CONTENTS
