| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
Structure
| InChI Key | LLVCMHDFMXAXMV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H15N3O |
| Molecular Weight | 205.12 |
| AlogP | 0.27 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 56.65 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 53360-86-4 |
| NORMAN SUSDAT |
CONTENTS
