| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | RID64Y718A |
| EPA CompTox | DTXSID3041580 |
Structure
| InChI Key | BSRDNMMLQYNQQD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H5N3 |
| Molecular Weight | 95.05 |
| AlogP | -0.38 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 59.61 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 628-87-5 |
| NORMAN SUSDAT | |
| FDA SRS | RID64Y718A |
| PubChem | 69413 |
| ChemSpider | 62621.0 |
CONTENTS
