| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | BN8UZ4TE5F |
| EPA CompTox | DTXSID6052328 |
Structure
| InChI Key | YKOLZVXSPGIIBJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H13N1 |
| Molecular Weight | 135.1 |
| AlogP | 2.39 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 26.02 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 643-28-7 |
| NORMAN SUSDAT | |
| FDA SRS | BN8UZ4TE5F |
| PubChem | 12561 |
| ChemSpider | 12042.0 |
CONTENTS
