3-(6-bromo-2H-1,3-benzodioxol-5-yl)benzo[f]quinoline-1-carboxylic acid
Chemical Structure Depiction of
3-(6-bromo-2H-1,3-benzodioxol-5-yl)benzo[f]quinoline-1-carboxylic acid
3-(6-bromo-2H-1,3-benzodioxol-5-yl)benzo[f]quinoline-1-carboxylic acid
Compound characteristics
| Compound ID: | 4244-2148 |
| Compound Name: | 3-(6-bromo-2H-1,3-benzodioxol-5-yl)benzo[f]quinoline-1-carboxylic acid |
| Molecular Weight: | 422.23 |
| Molecular Formula: | C21 H12 Br N O4 |
| Smiles: | C1Oc2cc(c(cc2O1)[Br])c1cc(C(O)=O)c2c3ccccc3ccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.1679 |
| logD: | 1.1724 |
| logSw: | -6.9346 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.55 |
| InChI Key: | LUBHWYHMTJLXHH-UHFFFAOYSA-N |