| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | NJS65M2DS2 |
| EPA CompTox | DTXSID4022076 |
Structure
| InChI Key | ODHXBMXNKOYIBV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H15N1 |
| Molecular Weight | 245.12 |
| AlogP | 5.16 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 3.24 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 603-34-9 |
| NORMAN SUSDAT | |
| FDA SRS | NJS65M2DS2 |
| PubChem | 11775 |
| ChemSpider | 11282.0 |
CONTENTS
