1.0 2016-09-30 23:09:00 UTC 2020-03-13 16:36:04 UTC BMDB0004269 BMDB04269 Corrinoid C19H22N4 306.413 306.184446724 20,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10,12(21),15,17(20)-hexaene 20,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10,12(21),15,17(20)-hexaene [H]\C1=C2/CC\C(N2)=C([H])\C2=N\C(\CC2)=C([H])\C2=NC(CC2)C2CCC1=N2 InChI=1S/C19H22N4/c1-3-14-10-16-5-7-18(22-16)19-8-6-17(23-19)11-15-4-2-13(21-15)9-12(1)20-14/h9-11,18-20H,1-8H2/b12-9-,14-10-,15-11+ PXOPDYTVWWQZEK-YBQWQYEPSA-N belongs to the class of organic compounds known as tetrapyrroles and derivatives. These are polycyclic aromatic compounds containing four pyrrole rings joined by one-carbon units linking position 2 of one pyrrole ring to position 5 of the next. Organic compounds Organoheterocyclic compounds Tetrapyrroles and derivatives Tetrapyrroles and derivatives Azacyclic compounds Dialkylamines Enamines Hydrocarbon derivatives Ketimines Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Pyrrolidines Pyrrolines Aliphatic heteropolycyclic compound Amine Azacycle Enamine Hydrocarbon derivative Imine Ketimine Organic 1,3-dipolar compound Organic nitrogen compound Organonitrogen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Pyrrolidine Pyrroline Secondary aliphatic amine Secondary amine Tetrapyrrole skeleton Aliphatic heteropolycyclic compounds Solid logp 2.35 ALOGPS logs -3.93 ALOGPS logp 1.48 ChemAxon pka_strongest_acidic 17.63 ChemAxon pka_strongest_basic 9.56 ChemAxon iupac 20,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10,12(21),15,17(20)-hexaene ChemAxon average_mass 306.413 ChemAxon mono_mass 306.184446724 ChemAxon smiles [H]\C1=C2/CC\C(N2)=C([H])\C2=N\C(\CC2)=C([H])\C2=NC(CC2)C2CCC1=N2 ChemAxon formula C19H22N4 ChemAxon inchi InChI=1S/C19H22N4/c1-3-14-10-16-5-7-18(22-16)19-8-6-17(23-19)11-15-4-2-13(21-15)9-12(1)20-14/h9-11,18-20H,1-8H2/b12-9-,14-10-,15-11+ ChemAxon inchikey PXOPDYTVWWQZEK-YBQWQYEPSA-N ChemAxon polar_surface_area 49.11 ChemAxon refractivity 96.04 ChemAxon polarizability 35.41 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 2 ChemAxon formal_charge 0 ChemAxon number_of_rings 5 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 1263829 Specdb::MsMs 1263830 Specdb::MsMs 1263831 Specdb::MsMs 1378912 Specdb::MsMs 1378913 Specdb::MsMs 1378914