| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | DZ3TXH2YBX |
| EPA CompTox | DTXSID7066271 |
| InChI Key | YNSMMVQJQULRFZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C16H13N1O5 |
| Molecular Weight | 299.08 |
| AlogP | 1.12 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 109.85 |
| Heavy Atoms | 22.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 17869-07-7 |
| NORMAN SUSDAT | |
| FDA SRS | DZ3TXH2YBX |
| PubChem | 87341 |
| ChemSpider | 78785.0 |