Calligonine

Properties Image MNX_ID MNXM16503 reference chebi:3323 formula C12H14N2 global charge 0 mol weight 186.258 InChIKey LPIJOZBIVDCQTE-MRVPVSSYSA-N InChI InChI=1S/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13-14H,6-7H2,1H3/t8-/m1/s1 SMILES C[C@H]1NCCC2=C1NC1=C2C=CC=C1 MNX internals InChI (mnx) InChI=1/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13-14H,6-7H2,1H3/t8-/m1/s1 SMILES (mnx) [CH3:1][C@@H:8]1[C:12]2=[C:10]([CH2:6][CH2:7][NH:13]1)[C:9]1=[CH:4][CH:2]=[CH:3][CH:5]=[C:11]1[NH:14]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0