| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | F7052989CV |
| EPA CompTox | DTXSID1021031 |
Structure
| InChI Key | OIJHFHYPXWSVPF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H10N2O1 |
| Molecular Weight | 198.08 |
| AlogP | 3.83 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 41.46 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 156-10-5 |
| NORMAN SUSDAT | |
| FDA SRS | F7052989CV |
| PubChem | 9074 |
| ChemSpider | 8721.0 |
CONTENTS
