| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 359HUE8FJC |
| EPA CompTox | DTXSID9046491 |
Structure
| InChI Key | JNTOCHDNEULJHD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H15N5O3 |
| Molecular Weight | 253.12 |
| AlogP | -1.06 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 131.04 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 39809-25-1 |
| NORMAN SUSDAT | |
| FDA SRS | 359HUE8FJC |
| PubChem | 4725 |
| ChemSpider | 4563.0 |
CONTENTS
