Bioactive Compound Details
| BioID | bio197513 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL166458 |
| Molecular Formula | C12H7NO4 |
| Molecular Weight | 229.19 |
| Molecular Weight (Monoisotopic) | 229.0375 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Nitro-Dibenzo[1,4]Dioxine |
| Smiles | O=[N+]([O-])c1ccc2c(c1)Oc1ccccc1O2 |
| Inchi | InChI=1S/C12H7NO4/c14-13(15)8-5-6-11-12(7-8)17-10-4-2-1-3-9(10)16-11/h1-7H |
| Inchi Key | PBIXRFKWYPNCAB-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | -0.65 |
| Records Key | ['79'] |
| Records Name | ['2-Nitro-dibenzo[1,4]dioxine'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
