1.0 2026-09-21 21:55:43 UTC 2026-09-21 21:55:43 UTC FDB117156 lumichrome 7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione C12H10N4O2 242.2334 242.080375584 7,8-dimethyl-1H,2H,3H,4H-benzo[g]pteridine-2,4-dione lumichrome CC1=CC2=NC3=C(N=C2C=C1C)C(=O)NC(=O)N3 InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18) ZJTJUVIJVLLGSP-UHFFFAOYSA-N belongs to the class of organic compounds known as flavins. Flavins are compounds containing a flavin (7,8-dimethyl-benzo[g]pteridine-2,4-dione) moiety, with a structure characterized by an isoalloaxzine tricyclic ring. Flavins Organic compounds Organoheterocyclic compounds Pteridines and derivatives Alloxazines and isoalloxazines Aromatic heteropolycyclic compounds Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Lactams Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Pyrazines Pyrimidones Quinoxalines Ureas Vinylogous amides Aromatic heteropolycyclic compound Azacycle Benzenoid Diazanaphthalene Flavin Heteroaromatic compound Hydrocarbon derivative Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrazine Pyrimidine Pyrimidone Quinoxaline Urea Vinylogous amide 7,8-dimethylbenzo[g]pteridine-2,4-dione a small molecule logp 1.18 ALOGPS logs -3.68 ALOGPS solubility 5.11e-02 g/l ALOGPS logp 2.73 ChemAxon pka_strongest_acidic 8.85 ChemAxon pka_strongest_basic -0.15 ChemAxon iupac 7,8-dimethyl-1H,2H,3H,4H-benzo[g]pteridine-2,4-dione ChemAxon average_mass 242.2334 ChemAxon mono_mass 242.080375584 ChemAxon smiles CC1=CC2=NC3=C(N=C2C=C1C)C(=O)NC(=O)N3 ChemAxon formula C12H10N4O2 ChemAxon inchi InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18) ChemAxon inchikey ZJTJUVIJVLLGSP-UHFFFAOYSA-N ChemAxon polar_surface_area 83.98 ChemAxon refractivity 65.19 ChemAxon polarizability 24.37 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1042 Specdb::CMs 2060 Specdb::CMs 6481 Specdb::CMs 31796 Specdb::CMs 126646 Specdb::MsMs 247806 Specdb::MsMs 247807 Specdb::MsMs 247808 Specdb::MsMs 267747 Specdb::MsMs 267748 Specdb::MsMs 267749 Specdb::MsMs 439656 Specdb::MsMs 439657 Specdb::MsMs 447236 Specdb::MsMs 449737 Specdb::MsMs 449738 Specdb::MsMs 2226313 Specdb::MsMs 2228413 Specdb::MsMs 2228631 Specdb::MsMs 2230792 Specdb::MsMs 2230944 Specdb::MsMs 2233280 Specdb::MsMs 2233336 Specdb::MsMs 2235564 Specdb::MsMs 2254323 Specdb::MsMs 3442639 Specdb::MsMs 3442640 Specdb::MsMs 3442641 Specdb::MsMs 3442642 Specdb::MsMs 3442643