| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | OUP165YKBC |
| EPA CompTox | DTXSID7025631 |
Structure
| InChI Key | FCMRHMPITHLLLA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8N2O2 |
| Molecular Weight | 152.06 |
| AlogP | 1.49 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 69.16 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 570-24-1 |
| NORMAN SUSDAT | |
| FDA SRS | OUP165YKBC |
| PubChem | 11298 |
| ChemSpider | 10824.0 |
CONTENTS
