| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | YP4N72IW34 |
Structure
| InChI Key | BDYYDXJSHYEDGB-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H11Cl2NO4 |
| Molecular Weight | 328.15 |
| AlogP | 3.27 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 59.75 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 21.0 |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 4601 |
| ChEMBL | CHEMBL1334860 |
| DrugBank | DB14638 |
| DrugCentral | 896 |
| EPA CompTox | DTXSID8048999 |
| FDA SRS | YP4N72IW34 |
| Human Metabolome Database | HMDB0015684 |
| KEGG | C07637 |
| PubChem | 19529 |
| SureChEMBL | SCHEMBL23381 |
| ZINC | ZINC000000001300 |
CONTENTS