5,6,9,10-Tetracarboxy-Benzo[B][1,8]Naphthyridin-10-Ium
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL494069 | |
| PubChem: | 44568607 | |
| IUPAC: | benzo[b][1,8]naphthyridin-10-ium-5,6,9,10-tetracarboxylic acid | |
| Standard InChI: | InChI=1S/C16H8N2O8/c19-13(20)7-3-4-8(14(21)22)11-9(7)10(15(23)24)6-2-1-5-17-12(6)18(11)16(25)26/h1-5H,(H3-,19,20,21,22,23,24,25,26)/p+1 | |
| Standard InChI Key: | FUODMOGKIDHLFS-UHFFFAOYSA-O | |
| SMILES: | OC(=O)c1ccc(c2c1[n+](C(=O)O)c1c(c2C(=O)O)cccn1)C(=O)O | |
Molecular propeties
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| AlogP: | 1.3 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 3 | |
| Molecular Weight: | 357.04 | |
| Topological polar surface area: | 166 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0 | |
| Number of carbons: | 16 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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