| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | VN4G7224S9 |
| EPA CompTox | DTXSID1063304 |
| InChI Key | IJCLOOKYCQWSJA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C15H11N1O2 |
| Molecular Weight | 237.08 |
| AlogP | 3.04 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 56.23 |
| Heavy Atoms | 18.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 4108-61-6 |
| NORMAN SUSDAT | |
| FDA SRS | VN4G7224S9 |
| PubChem | 77751 |
| ChemSpider | 70150.0 |