76853348 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 29 15 15 8 8 8 8 8 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 -1 6 -1 7 -1 8 -1 2 2 2 2 3 3 3 3 11 11 12 12 13 13 14 14 15 15 16 17 17 18 19 19 20 20 21 21 22 22 23 23 24 25 25 26 27 27 28 28 29 29 30 30 31 31 32 32 33 33 34 34 35 36 37 38 4 5 6 9 4 7 8 10 15 35 16 36 17 37 18 38 16 19 20 18 21 22 23 27 24 28 25 29 26 30 24 39 40 26 41 42 31 43 32 44 33 45 34 46 35 47 36 48 37 49 38 50 51 52 53 54 1 1 1 2 1 1 1 2 1 2 1 2 1 2 1 2 1 2 2 1 2 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 0 1 2.5 2 0 1 3 3.366 1 1.634 6.8495 8.5934 6.8495 8.5934 7.7434 8.6094 7.7434 8.6094 7.7434 9.4754 7.7434 9.4754 8.6094 9.4754 8.6094 9.4754 6.8495 10.3855 6.8495 10.3855 5.9434 10.3935 5.9434 10.3935 5.9434 9.4914 5.9434 9.4914 8.6094 10.0124 8.6094 10.0124 6.8566 10.9188 6.8566 10.9188 5.4077 10.9316 5.4077 10.9316 5.4077 9.489 5.4077 9.489 4.4987 5.4987 6.3647 5.4987 5.4987 4.4987 7.2307 5.8647 6.4987 6.8647 9.5748 10.5816 2.6893 3.6961 9.0401 9.5401 2.1546 2.6546 8.0401 9.0401 1.1546 2.1546 7.5401 8.0401 0.6546 1.1546 7.5055 9.547 0.62 2.6615 8.0193 10.5886 1.1338 3.7031 9.0609 11.1094 2.1754 4.2239 6.9201 7.7301 0.0346 0.8446 6.8855 9.2308 0 2.3453 7.7072 10.8965 0.8217 4.011 9.373 11.7294 2.4875 4.8439 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 11 11 12 12 13 13 14 14 15 15 16 17 17 18 19 19 20 20 21 21 22 22 23 25 27 28 29 30 31 32 33 34 15 35 16 36 17 37 18 38 16 19 20 18 21 22 23 27 24 28 25 29 26 30 24 26 31 32 33 34 35 36 37 38 -2 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 307 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 11 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB8030000000400000000000000000000000000003C78B1620000000000B1FE00001C00000020000C08C11E043CC0F2081010A0433467448082802431122008D8203874980860E2C09191942008608000C8C8071080C00E40000040000200208000008000040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 copper;1,10-phenanthroline;phosphonato phosphate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 copper;1,10-phenanthroline;phosphonato phosphate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 copper;1,10-phenanthroline;phosphonato phosphate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 copper;1,10-phenanthroline;phosphonato phosphate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 copper;1,10-phenanthroline;phosphonato phosphate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 cupric;1,10-phenanthroline;phosphonato phosphate InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/2C12H8N2.Cu.H4O7P2/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;1-8(2,3)7-9(4,5)6/h2*1-8H;;(H2,1,2,3)(H2,4,5,6)/q;;+2;/p-4 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 NWOGKNVUXVOOFE-UHFFFAOYSA-J Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 596.979020 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C24H16CuN4O7P2-2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 597.9 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[O-]P(=O)([O-])OP(=O)([O-])[O-].[Cu+2] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[O-]P(=O)([O-])OP(=O)([O-])[O-].[Cu+2] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 187 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 596.979020 38 0 0 0 0 0 0 0 4 -1