| BioID | bio197445 |
|---|
| Name | None |
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| ChEMBL ID | CHEMBL438163 |
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| Molecular Formula | C13H14N2O10 |
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| Molecular Weight | 358.26 |
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| Molecular Weight (Monoisotopic) | 358.0648 |
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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-{[5,6-Bis(Nitrooxy)Hexanoyl]Oxy}Benzoic Acid |
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| Smiles | O=C(CCCC(CO[N+](=O)[O-])O[N+](=O)[O-])Oc1ccccc1C(=O)O |
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| Inchi | InChI=1S/C13H14N2O10/c16-12(24-11-6-2-1-5-10(11)13(17)18)7-3-4-9(25-15(21)22)8-23-14(19)20/h1-2,5-6,9H,3-4,7-8H2,(H,17,18) |
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| Inchi Key | HMTXKMLDWQXOBR-UHFFFAOYSA-N |
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| Molecular Species | ACID |
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| Targets | 4.0 |
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| Bioactivities | 7.0 |
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| Np Likeness Score | 0.08 |
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| Records Key | ['53'] |
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| Records Name | ['2-{[5,6-bis(nitrooxy)hexanoyl]oxy}benzoic Acid'] |
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| Withdrawn Flag | False |
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| Orphan | -1 |
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