['CCCc1ccc(O)c(Br)c1', 'C=CCn1c(C)nnc1SCC(=O)O', 'CCCc1cccc(Br)c1', 'C=CCn1c(CO)nnc1SCC(=O)O', 'CC(=O)O', 'C=CCn1c(S)nnc1COc1ccc(CCC)cc1Br', 'C=CC', 'CCCc1ccc(OCc2nnc(SCC(=O)O)[nH]2)c(Br)c1', 'CCCc1ccc(OC)c(Br)c1', 'C=CCn1cnnc1SCC(=O)O', 'CCC', 'C=CCn1c(COc2ccccc2Br)nnc1SCC(=O)O', 'O=C(O)CS', 'C=CCn1cnnc1COc1ccc(CCC)cc1Br']
The molecule <smiles>C=CCn1c(COc2ccc(CCC)cc2Br)nnc1SCC(=O)O</smiles> has a molecular weight of <MW> 406.1760000000001</MW>, a tPSA of <tPSA> 77.24</tPSA>, a CLogP of <CLogP> 3.9348000000000027</CLogP>, and contains <HBA> 6</HBA> hydrogen bond acceptors (HBA), <HBD> 1</HBD> hydrogen bond donors (HBD), and <rotateable bonds> 10</rotateable bonds> rotatable bonds.