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Found 95994 results

Search term: DATA_SOURCE in ('ACToR: Aggregated Computational Toxicology Resource')
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
913


InChI=1/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
C6H5NO2123.1094234244878871123
1906


InChI=1/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
C8H9NO2151.1626218953914533517
577


InChI=1/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
C4H5N3O111.1022145953158241762
8438


InChI=1/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H
C7H6O3138.1207212394146225
8867

InChI=1/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)
C7H6N2118.1359210250149125
123


InChI=1/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
C7H6O2122.1213210596370700
1118


InChI=1/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
C10H12N2160.215720716782436810
8155


InChI=1/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
C8H8O4168.1467204622605399
993


InChI=1/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)
C6H5NO2123.1094203593440720
124


InChI=1/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
C8H8O3152.147320247722247
9838

InChI=1/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
C9H7NO145.1582023227491
392447


Double-bond stereo
InChI=1/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
C9H8O2148.158620248912002113
5705


InChI=1/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8)
C5H7N3109.129220042042845
5408


InChI=1/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
C8H11NO137.17919931414431762
60191


InChI=1/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
C6H7BO2121.929619911654751020
826


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)
C6H11NO2129.157199458511279
1103


InChI=1/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
C5H6N2O2126.1133199429474232212
553148


Double-bond stereo
InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
C9H8O3164.1581996051109458
911


InChI=1/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
C6H6N2O122.12461983991133061254
1057


InChI=1/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
C3H7NO289.09321978861191766
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