| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10885729 |
Structure
| InChI Key | TYJJJZBLPWLKNN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H19N3O |
| Molecular Weight | 161.15 |
| AlogP | -1.49 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 70.31 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 38595-73-2 |
| NORMAN SUSDAT | |
| PubChem | 170081 |
CONTENTS
