benzo[a]pyrene

Properties Image MNX_ID MNXM3216 reference chebi:29865 formula C20H12 global charge 0 mol weight 252.316 InChIKey FMMWHPNWAFZXNH-UHFFFAOYSA-N InChI InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H SMILES C1=CC2=CC3=C4C(=C2C=C1)C=CC1=C4C(=CC=C1)C=C3 MNX internals InChI (mnx) InChI=1/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H SMILES (mnx) [CH:1]1=[CH:2][CH:7]=[C:17]2[C:15](=[CH:4]1)[CH:12]=[C:16]1[CH:9]=[CH:8][C:13]3=[CH:5][CH:3]=[CH:6][C:14]4=[CH:10][CH:11]=[C:18]2[C:20]1=[C:19]34

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 10 in models (compartimentalized) 2