| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | P8D34H25RW |
| EPA CompTox | DTXSID40152552 |
Structure
| InChI Key | LDYBFSGEBHSTOQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H11N1 |
| Molecular Weight | 145.09 |
| AlogP | 1.41 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 12.03 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1197-51-9 |
| NORMAN SUSDAT | |
| FDA SRS | P8D34H25RW |
| PubChem | 99277 |
| ChemSpider | 89687.0 |
CONTENTS
