| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | S7U5MBT6KE |
| EPA CompTox | DTXSID10201485 |
Structure
| InChI Key | DTZQQHRKVWXQPP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H18N2O1 |
| Molecular Weight | 146.14 |
| AlogP | -0.48 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 35.5 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 53334-09-1 |
| NORMAN SUSDAT | |
| FDA SRS | S7U5MBT6KE |
| PubChem | 104470 |
| ChemSpider | 94017.0 |
CONTENTS
