2-bromo-3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-7-carboxylic acid
Chemical Structure Depiction of
2-bromo-3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-7-carboxylic acid
2-bromo-3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-7-carboxylic acid
Compound characteristics
| Compound ID: | 1959-0185 |
| Compound Name: | 2-bromo-3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-7-carboxylic acid |
| Molecular Weight: | 372.26 |
| Molecular Formula: | C19 H18 Br N O2 |
| Smiles: | C1C=CC2C1CN1C(C3CC=CC3c3cc(cc2c13)[Br])C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2928 |
| logD: | 1.2363 |
| logSw: | -4.2781 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.91 |
| InChI Key: | LBDYSHXIVYPQCI-UHFFFAOYSA-N |