Bioactive Compound Details
| BioID | bio200130 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL271407 |
| Molecular Formula | C13H15NO7 |
| Molecular Weight | 297.26 |
| Molecular Weight (Monoisotopic) | 297.0849 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-{[6-(Nitrooxy)Hexanoyl]Oxy}Benzoic Acid |
| Smiles | O=C(CCCCCO[N+](=O)[O-])Oc1ccccc1C(=O)O |
| Inchi | InChI=1S/C13H15NO7/c15-12(8-2-1-5-9-20-14(18)19)21-11-7-4-3-6-10(11)13(16)17/h3-4,6-7H,1-2,5,8-9H2,(H,16,17) |
| Inchi Key | ASJHIFNNULGQER-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 4.0 |
| Bioactivities | 7.0 |
| Np Likeness Score | -0.32 |
| Records Key | ['31'] |
| Records Name | ['2-{[6-(nitrooxy)hexanoyl]oxy}benzoic Acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
