| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | I1308NOV00 |
| EPA CompTox | DTXSID20169926 |
Structure
| InChI Key | YLACRFYIUQZNIV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H5N3O5 |
| Molecular Weight | 199.02 |
| AlogP | 0.76 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 121.53 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 17508-17-7 |
| NORMAN SUSDAT | |
| FDA SRS | I1308NOV00 |
| PubChem | 87140 |
| ChemSpider | 78605.0 |
CONTENTS
