7,7'-dioxo-7H,7'H-[4,4'-bibenzimidazo[2,1-a]benzo[de]isoquinoline]-3,3'-dicarboxylic acid
Chemical Structure Depiction of
7,7'-dioxo-7H,7'H-[4,4'-bibenzimidazo[2,1-a]benzo[de]isoquinoline]-3,3'-dicarboxylic acid
7,7'-dioxo-7H,7'H-[4,4'-bibenzimidazo[2,1-a]benzo[de]isoquinoline]-3,3'-dicarboxylic acid
Compound characteristics
Compound ID: | 0483-0034 |
Compound Name: | 7,7'-dioxo-7H,7'H-[4,4'-bibenzimidazo[2,1-a]benzo[de]isoquinoline]-3,3'-dicarboxylic acid |
Molecular Weight: | 626.59 |
Molecular Formula: | C38 H18 N4 O6 |
Smiles: | c1ccc2c(c1)nc1c3ccc(C(O)=O)c4c(ccc(C(n12)=O)c34)c1ccc2C(n3c4ccccc4nc3c3ccc(C(O)=O)c1c23)=O |
Stereo: | ACHIRAL |
logP: | 6.8421 |
logD: | 5.0314 |
logSw: | -6.2836 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 104.184 |
InChI Key: | CHADZIHIWHPQTK-UHFFFAOYSA-N |