60139423 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 78 8 8 7 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 5 -1 1 1 1 1 2 2 3 3 4 4 5 5 6 6 6 7 7 8 8 9 10 10 11 11 12 12 13 13 14 14 15 15 16 17 2 3 4 5 6 18 7 19 8 10 9 11 7 20 21 22 23 9 12 13 14 24 15 25 16 26 17 27 16 28 17 29 30 31 6 6 6 6 1 1 1 1 1 2 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 1 2 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 4.5274 5.3364 3.7183 3.7183 5.3364 5.0274 4.0274 4.0274 5.0274 2.7029 6.3518 3.3424 5.7123 2 7.0547 2.3219 6.7328 5.926 3.1287 4.9626 5.6338 3.4209 4.0922 2.5182 6.5365 3.5408 5.5139 1.394 7.6607 1.9088 7.1459 -0.3924 -0.9802 -0.9802 0.1954 0.1954 -1.9312 -1.9312 1.1465 1.1465 -0.0368 -0.0368 1.9312 1.9312 0.7319 0.7319 1.7225 1.7225 -0.7886 -0.7886 -2.5478 -2.0601 -2.0601 -2.5478 -0.6287 -0.6287 2.5186 2.5186 0.6006 0.6006 2.1848 2.1848 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 8 9 10 11 12 13 14 15 8 10 9 11 12 13 14 15 16 17 16 17 -1 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 273 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 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 00000371C07230000000000000000004000000000001624000002C4000000000000058018000001E00000800000C08E196063C8092081200A0033467440082802031022008D8203864980930E2C09191842008608000C9C8071080000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ethylene glycol;2-phenylpyridine;platinum IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ethane-1,2-diol;2-phenylpyridine;platinum IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ethane-1,2-diol;2-phenylpyridine;platinum IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ethane-1,2-diol;2-phenylpyridine;platinum IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ethane-1,2-diol;2-phenylpyridine;platinum IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ethylene glycol;2-phenylpyridine;platinum InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C11H8N.C2H6O2.Pt/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;3-1-2-4;/h1-6,8-9H;3-4H,1-2H2;/q-1;; InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XITRRTTXSBGAKF-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 411.067248 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C13H14NO2Pt- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.08.13 411.34 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C([C-]=C1)C2=CC=CC=N2.C(CO)O.[Pt] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C([C-]=C1)C2=CC=CC=N2.C(CO)O.[Pt] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 53.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 411.067248 17 0 0 0 0 0 0 0 3 -1