| Status: | Approved (2008) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 563KS2PQY5 |
Structure
| InChI Key | VPPJLAIAVCUEMN-GFCCVEGCSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H18N2O3 |
| Molecular Weight | 250.3 |
| AlogP | 0.45 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 67.43 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 135939 |
| ChEMBL | CHEMBL58323 |
| DrugBank | DB06218 |
| DrugCentral | 4310 |
| EPA CompTox | DTXSID1057666 |
| FDA SRS | 563KS2PQY5 |
| Guide to Pharmacology | 7472 |
| PDB | LQO |
| PharmGKB | PA166160048 |
| PubChem | 219078 |
| SureChEMBL | SCHEMBL35330 |
| ZINC | ZINC000000007673 |
CONTENTS