Mrv0541 02231216112D 8 8 0 0 0 0 999 V2000 2.1434 1.2375 0.0000 N 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 1.4289 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 F 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 2 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 M END > DB02403 > drugbank > NC1=CC=CC=C1F > InChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2 > FTZQXOJYPFINKJ-UHFFFAOYSA-N > C6H6FN > 111.1169 > 111.048427402 > 1 > 14 > 9.531290381697391e-05 > 10.380685206688385 > 1 > 1 > 0 > 0 > 2-fluoroaniline > 1.26 > 1.2870217983333332 > -0.94 > 0 > 0 > 1 > 0 > 19.8140650397512 > 2.979193097568259 > 26.02 > 30.9748 > 0 > 1 > 1.27e+01 g/l > tetrahydrofolic acid > 1 > DB02403 > EXPT00067 > experimental > 2-Fluoroaniline $$$$