Mrv1652304272018442D 10 10 0 0 0 0 999 V2000 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8876 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 1.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 5 6 1 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 M END > CDB005679 > CDB > OC(=N)NC1=CC=CC=C1 > InChI=1S/C7H8N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10) > LUBJCRLGQSPQNN-UHFFFAOYSA-N > C7H8N2O > 136.1512 > 136.063662888 > 3 > 18 > 13.808534068583686 > 1 > 3 > 0 > 0 > N-phenylcarbamimidic acid > 1.02 > 0.052088381957458726 > -1.76 > 0 > 1 > 0 > -2.7219150406473824 > 15.000000000249162 > 56.11 > 50.5343 > 1 > 1 > 2.36e+00 g/l > N-phenylcarbamimidic acid > 0 > CDB005679 > Phenylurea $$$$