4-[4-(acetyloxy)phenyl]-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylic acid
Chemical Structure Depiction of
4-[4-(acetyloxy)phenyl]-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylic acid
4-[4-(acetyloxy)phenyl]-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylic acid
Compound characteristics
Compound ID: | 4597-0013 |
Compound Name: | 4-[4-(acetyloxy)phenyl]-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylic acid |
Molecular Weight: | 394.38 |
Molecular Formula: | C21 H18 N2 O6 |
Smiles: | CC(=O)Oc1ccc(cc1)C1C2CC=CC2c2c(ccc(C(O)=O)c2N1)[N+]([O-])=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.5046 |
logD: | 0.8706 |
logSw: | -3.8404 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 92.309 |
InChI Key: | LFUPVDOJTYKZBC-UHFFFAOYSA-N |