| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3KL5GGM6DE |
| EPA CompTox | DTXSID20174055 |
Structure
| InChI Key | XXNWGSSVJMXOTP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H18N2O2 |
| Molecular Weight | 174.14 |
| AlogP | -0.71 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 47.72 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 20207-13-0 |
| NORMAN SUSDAT | |
| FDA SRS | 3KL5GGM6DE |
| PubChem | 88410 |
| ChemSpider | 79764.0 |
CONTENTS
