| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | N4X8WVX2UG |
| EPA CompTox | DTXSID0045410 |
Structure
| InChI Key | YRWLZFXJFBZBEY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H17N3O2 |
| Molecular Weight | 247.13 |
| AlogP | 3.1 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 70.5 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 14255-87-9 |
| NORMAN SUSDAT | |
| FDA SRS | N4X8WVX2UG |
| PubChem | 26596 |
| ChemSpider | 24775.0 |
CONTENTS
