2206 -OEChem-01251918363D 26 27 0 1 0 0 0 0 0999 V2000 -0.7476 2.5568 0.0106 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4496 0.1996 -0.1502 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3788 -0.8522 -0.0876 N 0 0 1 0 0 0 0 0 0 0 0 0 -2.6144 -0.2849 0.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9505 0.0131 -0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1459 1.4035 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5643 1.0522 0.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 -1.9401 -1.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 -1.1100 0.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8282 1.0486 -0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4658 -1.2075 0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2065 0.8655 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8442 -1.3906 0.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7145 -0.3540 0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3572 1.7548 0.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -2.1966 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7694 -1.6711 -1.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7408 -2.8444 -0.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6932 -1.8535 1.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0945 -1.6335 -0.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7033 -0.4944 0.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4738 2.0021 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8226 -2.0261 0.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8849 1.6701 -0.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2402 -2.3370 0.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7878 -0.4964 0.2676 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 5 1 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 7 2 0 0 0 0 4 9 1 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 7 15 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 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 14 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 M END > DB01435 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VEQOALNAAJBPNY-UHFFFAOYSA-N/SDF?record_type=3d > CN1N(C(=O)C=C1C)C1=CC=CC=C1 > InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3 > VEQOALNAAJBPNY-UHFFFAOYSA-N > C11H12N2O > 188.2258 > 188.094963016 > 2 > 26 > 20.40356960151275 > 1 > 0 > 0 > 1 > 1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one > 1.18 > 1.2189718436666666 > -0.60 > 0 > 2 > 0 > 0.48597519414203333 > 23.550000000000004 > 56.41680000000001 > 1 > 1 > 4.74e+01 g/l > antipyrine > 1 $$$$