5601 oechem - 10051720423 d 19 19 0 0 0 0 0 0 0999 V2000型-3.4350 -1.0935 0.0216 0 0 0 0 0 0 0 0 0 0 0 0 2.6495 1.7614 0.0215 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8158 0.2793 -1.0707 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7856 0.2497 1.1079 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -1.9220 0.0371 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9634 -1.6777 -0.0693 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4628 0.2174 -0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7533 -0.6995 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0872 -0.0735 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8213 -0.4575 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3719 1.2451 -0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0151 0.4551 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7816 1.4518 -0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4786 0.2639 0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4104 0.8311 -0.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4149 0.8576 0.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 2.0484 -0.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2602 2.4224 -0.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5510 0.1282 0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 0 0 0 0 1 14 1 0 0 0 0 2 12 12 1 0 0 0 0 3 1 0 0 0 0 4 12 1 0 0 0 0 5 8 2 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 9 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 M >结束
DB04795 >
drugbank >
PUBCHEM >
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/TXBBUSUXYMIVOS-UHFFFAOYSA-N/SDF?record_type = 3 d >
FC (F) (F) C = O) CC (= O) C1 = CC = CS1 >
InChI = 1 s / C8H5F3O2S c9-8 (10、11) 7 (13) 4 - 5 (12) 6-2-1-3-14-6 / h1-3H 4 h2 >
TXBBUSUXYMIVOS-UHFFFAOYSA-N >
C8H5F3O2S >
222.184 >
221.996234709 >
2 >
19日>
-0.26718333212693407 >
16.73972150734432 >
1 >
0 >
0 >
0 >
(4 4 4-trifluoro-1) - thiophen-2-yl butane-1, 3-dione >
2.37 >
2.7979573146666663 >
-3.47 >
0 >
0 >
1 >
0 >
7.4381859770046255 >
-7.991650685153958 >
34.14 >
44.2561 >
4 >
1 >
7.52 e-02 g / l >
生物素>
1 $ $ $ $