• Data source

  • Data source type

  • Focused library

  • XSection

Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 17 results

Search term: DATA_SOURCE in ('SGCStoCompounds')
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4444448


InChI=1/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
C15H10O5270.236920551828065167
307

InChI=1/ClH/h1H
HCl36.4609125851364222959020
3688
InChI=1/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)
C16H11BrN2O327.1753989700
4591874
InChI=1/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
C18H16FN3O309.3375888700
1631
InChI=1/C6HBr4N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13)
C6HBr4N3434.708288160170
4750213

Double-bond stereo
InChI=1/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3-
C15H8Br2INO2520.9427510000
458

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H
C15H12O7304.25167526412
571463
InChI=1/C28H25F2N3OS/c29-22-9-5-19(6-10-22)26(20-7-11-23(30)12-8-20)21-13-15-32(16-14-21)17-18-33-27(34)24-3-1-2-4-25(24)31-28(33)35/h1-12H,13-18H2,(H,31,35)
C28H25F2N3OS489.5794525000
2299698

Double-bond stereo
InChI=1/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4-
C11H10BrN5O2324.1334526500
5037497

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-9,11-12,19,24-25H,10,13H2,1-2H3/b7-3+,8-4+
C21H22O6370.39585500
5037503
InChI=1/C22H19F3N4O3/c1-13-3-4-15(11-18(13)22(23,24)25)29-21(31)28-14-5-7-16(8-6-14)32-17-9-10-27-19(12-17)20(30)26-2/h3-12H,1-2H3,(H,26,30)(H2,28,29,31)
C22H19F3N4O3444.40653300
4925381

Double-bond stereo
InChI=1/C19H23N3O3S/c1-22(2)26(24,25)14-7-8-18-15(11-14)16(19(23)21-18)10-13-9-12-5-3-4-6-17(12)20-13/h7-11,20,24-25H,3-6H2,1-2H3,(H,21,23)/b16-10-
C19H23N3O3S373.46923300
5037498

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C11H15IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11,17-19H,1-2H2,(H2,13,14,15)/t4?,5-,7?,8?,11-/m1/s1
C11H15IN4O4394.16572200
5037499

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C14H14BrN5/c15-8-2-1-3-9(4-8)20-14-10-5-11(16)12(17)6-13(10)18-7-19-14/h1-7,10,13H,16-17H2,(H,18,19,20)
C14H14BrN5332.19852200
5037500

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C23H20FN3S2/c1-29(2)20-9-3-16(4-10-20)15-28-23-26-21(17-5-7-19(24)8-6-17)22(27-23)18-11-13-25-14-12-18/h3-14H,1,15H2,2H3,(H,26,27)
C23H20FN3S2421.55342200
5037501

Double-bond stereo
InChI=1/C19H20N2O3S/c1-2-23-18-10-14(8-15(11-20)12-24-21)9-16(19(18)22)13-25-17-6-4-3-5-7-17/h3-10,22H,2,12-13,21H2,1H3/b15-8+
C19H20N2O3S356.43872200
5037502
InChI=1/C15H13ClN4O3/c16-9-3-6-12-11(7-9)13(14(21)18-12)20-19-10-4-1-8(2-5-10)15(17,22)23/h1-7,19,22-23H,17H2,(H,18,20,21)
C15H13ClN4O3332.74172200

Advertisement