| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | UL1984YRKA |
| EPA CompTox | DTXSID40188795 |
Structure
| InChI Key | KMXXSJLYVJEBHI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H9N3O2 |
| Molecular Weight | 131.07 |
| AlogP | -1.06 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 99.2 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 353-09-3 |
| NORMAN SUSDAT | |
| FDA SRS | UL1984YRKA |
| PubChem | 67701 |
| ChemSpider | 61020.0 |
CONTENTS
