| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | H9KF4UMF5T |
| EPA CompTox | DTXSID2072251 |
Structure
| InChI Key | BXXVRXJSDVTMJN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H10N2O2 |
| Molecular Weight | 238.07 |
| AlogP | 3.17 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 62.12 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 71130-54-6 |
| NORMAN SUSDAT | |
| FDA SRS | H9KF4UMF5T |
| PubChem | 117019 |
| ChemSpider | 104574.0 |
CONTENTS
