| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3VSI4D701X |
| EPA CompTox | DTXSID0058932 |
Structure
| InChI Key | KLCDQSGLLRINHY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H13N3 |
| Molecular Weight | 247.11 |
| AlogP | 4.84 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 50.74 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 85-84-7 |
| NORMAN SUSDAT | |
| FDA SRS | 3VSI4D701X |
| PubChem | 6824 |
| ChemSpider | 6564.0 |
CONTENTS
