| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4H2W4524XV |
| EPA CompTox | DTXSID6064400 |
Structure
| InChI Key | PAOXFRSJRCGJLV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H20N4 |
| Molecular Weight | 172.17 |
| AlogP | -1.48 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 58.52 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6531-38-0 |
| NORMAN SUSDAT | |
| FDA SRS | 4H2W4524XV |
| PubChem | 81020 |
| ChemSpider | 73096.0 |
CONTENTS
