| BioID | bio199023 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL557391 |
|---|
| Molecular Formula | C10H11NO6 |
|---|
| Molecular Weight | 241.2 |
|---|
| Molecular Weight (Monoisotopic) | 241.0586 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-[3-(Nitrooxy)Propoxy]Benzoic Acid |
|---|
| Smiles | O=C(O)c1ccccc1OCCCO[N+](=O)[O-] |
|---|
| Inchi | InChI=1S/C10H11NO6/c12-10(13)8-4-1-2-5-9(8)16-6-3-7-17-11(14)15/h1-2,4-5H,3,6-7H2,(H,12,13) |
|---|
| Inchi Key | IJKVLUSKZBRUJO-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 3.0 |
|---|
| Np Likeness Score | -0.65 |
|---|
| Records Key | ['11'] |
|---|
| Records Name | ['2-[3-(Nitrooxy)propoxy]benzoic Acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
