| BioID | bio197247 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL271585 |
|---|
| Molecular Formula | C11H11NO7 |
|---|
| Molecular Weight | 269.21 |
|---|
| Molecular Weight (Monoisotopic) | 269.0536 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-{[4-(Nitrooxy)Butanoyl]Oxy}Benzoic Acid |
|---|
| Smiles | O=C(CCCO[N+](=O)[O-])Oc1ccccc1C(=O)O |
|---|
| Inchi | InChI=1S/C11H11NO7/c13-10(6-3-7-18-12(16)17)19-9-5-2-1-4-8(9)11(14)15/h1-2,4-5H,3,6-7H2,(H,14,15) |
|---|
| Inchi Key | QPQRNGCLPVBEJJ-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 7.0 |
|---|
| Np Likeness Score | -0.52 |
|---|
| Records Key | ['29'] |
|---|
| Records Name | ['2-{[4-(nitrooxy)butanoyl]oxy}benzoic Acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
