Mrv0541 02231215512D 8 8 0 0 0 0 999 V2000 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 2 8 1 0 0 0 0 M END > DB01957 > drugbank > OC1=CC=CC(Cl)=C1 > InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H > HORNXRXVQWOLPJ-UHFFFAOYSA-N > C6H5ClO > 128.556 > 128.002892489 > 1 > 13 > -0.01578075711336954 > 12.004428429396853 > 1 > 1 > 0 > 0 > 3-chlorophenol > 2.35 > 2.2737251706666664 > -0.94 > 0 > 0 > 1 > 0 > 8.794964016336937 > -6.299167895760955 > 20.23 > 32.8437 > 0 > 1 > 1.46e+01 g/l > tetrahydrofolic acid > 1 > DB01957 > EXPT00165 > experimental > 3-Chlorophenol $$$$