1.0 2020-03-10 16:59:00 UTC 2020-04-22 18:55:13 UTC BMDB0095967 BMDB95967 beta-Carboline 2,9-Diazafluorene 2-Azacarbazole 9H-beta-Carboline 9H-Pyrido(3,4-b)indole 9H-Pyrido[3,4-b]indole Carbazoline Norharman Norharmane 9H-b-Carboline 9H-Β-carboline b-Carboline Β-carboline Norharman hydrochloride Norhormane beta-Carboline C11H8N2 168.1946 168.068748266 9H-pyrido[3,4-b]indole β-carboline 244-63-3 N1C2=CC=CC=C2C2=CC=NC=C12 InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H AIFRHYZBTHREPW-UHFFFAOYSA-N belongs to the class of organic compounds known as beta carbolines. Beta carbolines are compounds containing a 9H-pyrido[3,4-b]indole moiety. Organic compounds Organoheterocyclic compounds Indoles and derivatives Pyridoindoles Beta carbolines Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Indoles Organonitrogen compounds Organopnictogen compounds Pyridines and derivatives Pyrroles Aromatic heteropolycyclic compound Azacycle Benzenoid Beta-carboline Heteroaromatic compound Hydrocarbon derivative Indole Organic nitrogen compound Organonitrogen compound Organopnictogen compound Pyridine Pyrrole Aromatic heteropolycyclic compounds beta-carbolines mancude organic heterotricyclic parent logp 2.56 ALOGPS logs -2.77 ALOGPS logp 1.87 ChemAxon pka_strongest_acidic 13.22 ChemAxon pka_strongest_basic 5.28 ChemAxon iupac 9H-pyrido[3,4-b]indole ChemAxon average_mass 168.1946 ChemAxon mono_mass 168.068748266 ChemAxon smiles N1C2=CC=CC=C2C2=CC=NC=C12 ChemAxon formula C11H8N2 ChemAxon inchi InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H ChemAxon inchikey AIFRHYZBTHREPW-UHFFFAOYSA-N ChemAxon polar_surface_area 28.68 ChemAxon refractivity 51.32 ChemAxon polarizability 18.07 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 16921 Specdb::CMs 26882 Specdb::CMs 100025 Specdb::CMs 168604 Specdb::MsIr 2806 Specdb::MsIr 2807 Specdb::MsIr 2808 Specdb::MsMs 72768 Specdb::MsMs 72769 Specdb::MsMs 72770 Specdb::MsMs 131760 Specdb::MsMs 131761 Specdb::MsMs 131762 Specdb::MsMs 445364 Specdb::MsMs 451689 Specdb::MsMs 1471215 Specdb::MsMs 1471216 Specdb::MsMs 1471217 Specdb::MsMs 1471241 Specdb::MsMs 1471242 Specdb::MsMs 1471243 Specdb::MsMs 1471252 Specdb::MsMs 1471316 Specdb::MsMs 1473169 Specdb::MsMs 1473170 Specdb::MsMs 1473171 Specdb::MsMs 1473172 Specdb::MsMs 1473173 Specdb::MsMs 2226949 Specdb::MsMs 2234795 Specdb::MsMs 2234798 Specdb::MsMs 2236112 FDB007945 58486 C00026537 64961 NRH 109895 C20157 CPD-15304 Beta-Carboline