MIGRENIN

8066-49-7

MFCD01697590

C11 H12 N2 O . C8 H10 N4 O2 . C6 H8 O7

574.544

InChI=1S/C11H12N2O.C8H10N4O2.C6H8O7/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8H,1-2H3;4H,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey=XCRAFTGAMMSJLO-UHFFFAOYSA-N

Cc1cc(=O)n(n1C)c2ccccc2.Cn1cnc2c1c(=O)n(c(=O)n2C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

pro_donors:0

pro_acceptors:6

XLogP3:0.0

Bulk/Fine:F