| BioID | bio198206 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL270531 |
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| Molecular Formula | C11H10N2O10 |
|---|
| Molecular Weight | 330.21 |
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| Molecular Weight (Monoisotopic) | 330.0335 |
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| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
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| Target Name | None |
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| Synonyms | 2-{[3,4-Bis(Nitrooxy)Butanoyl]Oxy}Benzoic Acid |
|---|
| Smiles | O=C(CC(CO[N+](=O)[O-])O[N+](=O)[O-])Oc1ccccc1C(=O)O |
|---|
| Inchi | InChI=1S/C11H10N2O10/c14-10(5-7(23-13(19)20)6-21-12(17)18)22-9-4-2-1-3-8(9)11(15)16/h1-4,7H,5-6H2,(H,15,16) |
|---|
| Inchi Key | UYCKFCCHEBRDFI-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 7.0 |
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| Np Likeness Score | -0.06 |
|---|
| Records Key | ['51'] |
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| Records Name | ['2-{[3,4-bis(nitrooxy)butanoyl]oxy}benzoic Acid'] |
|---|
| Withdrawn Flag | False |
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| Orphan | -1 |
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