| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID5071416 |
Structure
| InChI Key | QMRVFUMUYZCMJR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H21N5 |
| Molecular Weight | 235.18 |
| AlogP | 0.02 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 66.09 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 68310-67-8 |
| NORMAN SUSDAT | |
| PubChem | 110030 |
| ChemSpider | 95150.0 |
CONTENTS
