| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | M2JXB2X7H2 |
| EPA CompTox | DTXSID7059226 |
| InChI Key | OMIOAPDWNQGXED-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H13N3O1 |
| Molecular Weight | 227.11 |
| AlogP | 2.49 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 84.63 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 101-12-2 |
| NORMAN SUSDAT | |
| FDA SRS | M2JXB2X7H2 |
| PubChem | 66859 |
| ChemSpider | 60223.0 |