285553 -OEChem-10051719463D 17 17 0 0 0 0 0 0 0999 V2000 2.3635 -0.7808 -0.0005 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4512 -0.7104 -0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0113 -0.7690 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2047 -0.0467 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2109 -0.0965 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1758 1.3480 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0171 -2.2632 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2395 1.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0462 2.0204 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0982 1.9231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5221 -2.6447 -0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9951 -2.6811 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -2.6443 0.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1911 1.8215 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0687 3.1062 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3058 -0.1690 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5046 -1.7192 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 4 6 1 0 0 0 0 5 8 2 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 M END > DB01986 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SLDLVGFPFFLYBM-UHFFFAOYSA-N/SDF?record_type=3d > CC1=C(N)C=CC=C1F > InChI=1S/C7H8FN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3 > SLDLVGFPFFLYBM-UHFFFAOYSA-N > C7H8FN > 125.1435 > 125.064077466 > 1 > 17 > 0.00019299915603443522 > 12.3993528800006 > 1 > 1 > 0 > 0 > 3-fluoro-2-methylaniline > 1.63 > 1.8004431876666667 > -1.03 > 0 > 0 > 1 > 0 > 3.285639236444552 > 26.02 > 36.016 > 0 > 1 > 1.17e+01 g/l > biotin > 1 $$$$