棕色FK

8062-14-4

MFCD01657946

C18 H14 N6 O6 S2 . C13 H13 N4 O3 S . 3 Na

848.783

InChI=1S/C18H16N6O6S2.C13H14N4O3S.3Na/c19-15-9-16(20)18(24-22-12-3-7-14(8-4-12)32(28,29)30)10-17(15)23-21-11-1-5-13(6-2-11)31(25,26)27;1-8-6-13(12(15)7-11(8)14)17-16-9-2-4-10(5-3-9)21(18,19)20;;;/h1-10H,19-20H2,(H,25,26,27)(H,28,29,30);2-7H,14-15H2,1H3,(H,18,19,20);;;/q;;3*+1/p-3/b23-21+,24-22+;17-16-;;;

InChIKey=YJCJAUSWVUZMSY-WTZXPVNMSA-K

Cc1cc(c(cc1N)N)/N=N\c2ccc(cc2)S(=O)(=O)[O-].c1cc(ccc1/N=N/c2cc(c(cc2N)N)/N=N/c3ccc(cc3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

pro_donors:2

pro_acceptors:12

XLogP3:0.0

Bulk/Fine:F