4021 -OEChem-10051722433D 23 24 0 0 0 0 0 0 0999 V2000 0.7891 -2.3365 -0.3835 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5753 -0.0063 0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4227 1.0648 0.1805 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7046 -0.8635 -0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6316 0.6070 0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -1.2221 -0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8057 0.1055 0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8531 1.4448 0.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5974 -0.9648 0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4238 1.2899 -0.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9876 -0.8523 0.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 1.4023 -0.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5959 0.3312 0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 -1.0741 -1.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1930 -1.3686 0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4428 1.0838 1.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5817 2.4899 0.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4516 1.3707 -0.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1709 -1.8881 0.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8364 2.1364 -0.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5967 -1.6821 0.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2881 2.3234 -0.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6782 0.4196 0.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 5 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 10 12 2 0 0 0 0 10 20 1 0 0 0 0 11 13 2 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 M END > DB12243 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QELUYTUMUWHWMC-UHFFFAOYSA-N/SDF?record_type=3d > CC1=NN(C(=O)C1)C1=CC=CC=C1 > InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3 > QELUYTUMUWHWMC-UHFFFAOYSA-N > C10H10N2O > 174.203 > 174.07931295 > 2 > 23 > 18.6149320485302 > 1 > 0 > 0 > 1 > 3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one > 0.53 > 1.5267006276666666 > -2.27 > 0 > 2 > 0 > 13.445719541100054 > -1.4771470624699288 > 32.67 > 49.49250000000002 > 1 > 1 > 9.39e-01 g/l > edaravone > 1 $$$$