| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID5067928 |
Structure
| InChI Key | VRPPEXGZBZBARW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H17N3 |
| Molecular Weight | 131.14 |
| AlogP | -0.73 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 64.07 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 35513-87-2 |
| NORMAN SUSDAT | |
| PubChem | 118835 |
| ChemSpider | 106188.0 |
CONTENTS
