| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | BCX2PPA7S9 |
| EPA CompTox | DTXSID7064946 |
Structure
| InChI Key | CZGWDPMDAIPURF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H9N9 |
| Molecular Weight | 171.1 |
| AlogP | -2.27 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 6.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 152.82 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 10105-42-7 |
| NORMAN SUSDAT | |
| FDA SRS | BCX2PPA7S9 |
| PubChem | 66276 |
| ChemSpider | 59655.0 |
CONTENTS
