"2" . "226.131742452" . "122.048012824" . "162.7" . "InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)" . "ALOGPS" . "InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3" . "InChIKey=PEFGUPQPFCDBPY-LMVFSUKVSA-N" . "-1.3" . "[H][C@]1(O)C=C(O[C@@]([H])(OCC(C)C)[C@]1([H])NC(C)=O)C(O)=O" . "-2" . "CC(C)[C@@H](NC(=O)CN1C(=O)C(N)=CN=C1C1=CC=CC=C1)[C@@H](O)C1=NN=C(O1)C(C)(C)C" . "ChemAxon" . "5.87" . "1" . "-2.7" . "-3.7" . "2.11e-01 g/l" . "4" . "7.42e-04 g/l" .