| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | NQ7W02PF6S |
| EPA CompTox | DTXSID1046130 |
Structure
| InChI Key | NKDJNEGDJVXHKM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H15N3 |
| Molecular Weight | 165.13 |
| AlogP | 1.34 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 29.85 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 17289-49-5 |
| NORMAN SUSDAT | |
| FDA SRS | NQ7W02PF6S |
| PubChem | 28446 |
| ChemSpider | 26464.0 |
CONTENTS
