67874 oechem - 06132013113 d 16 16 0 0 0 0 0 0 0999 V2000型-2.4697 1.2552 0.0003 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4706 -0.6278 -1.0865 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4451 -0.6313 1.0937 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6954 0.0010 -0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4554 0.0006 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2421 1.2085 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2419 -1.2075 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9466 0.0004 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 1.2083 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6368 -1.2076 -0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3343 0.0003 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2821 2.1602 0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2926 -2.1538 -0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1687 2.1560 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1745 -2.1518 -0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0100 0.9214 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 2 8 8 8 0 0 0 0 3 1 0 0 0 0 4 11 1 0 0 0 0 4 16 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 10 2 0 0 0 0 7 13 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 M >结束
DB03610 >
drugbank >
PUBCHEM >
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BAYGVMXZJBFEMB-UHFFFAOYSA-N/SDF?record_type = 3 d >
OC1 = CC = C (C = C1) C F (F) (F) >
InChI = 1 s / C7H5F3O c8-7 (9、10) 5-1-3-6 (11) 5-1-3-6 / h1-4 11 h >
BAYGVMXZJBFEMB-UHFFFAOYSA-N >
C7H5F3O >
162.1092 >
162.029249397 >
1 >
16日>
-0.004084995138318834 >
12.232056147628182 >
1 >
1 >
0 >
0 >
(4)- trifluoromethyl酚>
2.65 >
2.5475289759999997 >
-1.51 >
0 >
0 >
1 >
0 >
9.387030731676834 >
-5.962199777609452 >
20.23 >
34.0126 >
1 >
1 >
5.06 e + 00 g / l >
(2 s, 3, 4, 5, 6 r) 6 - [5 - (4 ' - {[2-butyl-4-chloro-5 -(羟甲基)imidazol-1-yl]甲基}-[1,1 '联苯]2-yl) 1、2、3, 4-tetrazol-2-yl) 3、4, 5-trihydroxyoxane-2-carboxylic酸>
1 $ $ $ $