| BioID | bio199899 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL269911 |
|---|
| Molecular Formula | C10H9NO7 |
|---|
| Molecular Weight | 255.18 |
|---|
| Molecular Weight (Monoisotopic) | 255.0379 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-{[3-(Nitrooxy)Propanoyl]Oxy)}Benzoic Acid |
|---|
| Smiles | O=C(CCO[N+](=O)[O-])Oc1ccccc1C(=O)O |
|---|
| Inchi | InChI=1S/C10H9NO7/c12-9(5-6-17-11(15)16)18-8-4-2-1-3-7(8)10(13)14/h1-4H,5-6H2,(H,13,14) |
|---|
| Inchi Key | HOMOBXVOXWXRGE-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 7.0 |
|---|
| Np Likeness Score | -0.56 |
|---|
| Records Key | ['28'] |
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| Records Name | ['2-{[3-(nitrooxy)propanoyl]oxy)}benzoic Acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
