| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | D080Q09TBO |
| EPA CompTox | DTXSID9042207 |
Structure
| InChI Key | RRHLGOOTLYHTEW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H37N3 |
| Molecular Weight | 271.3 |
| AlogP | 3.05 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 16.0 |
| Polar Surface Area | 50.08 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3700-59-2 |
| NORMAN SUSDAT | |
| FDA SRS | D080Q09TBO |
| PubChem | 77291 |
| ChemSpider | 69711.0 |
CONTENTS
