| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | QBX79NZC1D |
Structure
| InChI Key | ATCGGEJZONJOCL-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H7Cl2N5 |
| Molecular Weight | 256.1 |
| AlogP | 2.01 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 90.71 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 93307 |
| ChEMBL | CHEMBL136497 |
| DrugBank | DB13056 |
| DrugCentral | 1484 |
| EPA CompTox | DTXSID8043999 |
| FDA SRS | QBX79NZC1D |
| PubChem | 3752 |
| SureChEMBL | SCHEMBL62215 |
| ZINC | ZINC000000002645 |
CONTENTS