60139429 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 8 7 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 6 -1 1 1 1 1 2 2 3 3 4 4 5 5 6 7 7 8 8 8 9 9 10 11 11 12 12 13 13 14 14 15 16 17 17 17 2 3 5 6 8 18 9 19 6 16 7 11 10 10 12 9 20 21 22 23 13 15 24 14 25 16 26 15 17 27 28 29 30 31 6 6 6 6 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 2 1 2 1 2 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 4.1095 4.9185 3.3004 2.3064 4.9185 3.3004 4.6095 4.6095 3.6095 3.6095 5.9339 5.2944 2.8037 6.3149 6.6368 2 6.9812 5.5081 2.7108 4.5446 5.2159 3.003 3.6743 6.1186 5.096 2.8026 7.2428 1.4103 7.4436 7.3943 6.5189 -0.6609 -1.2487 -1.2487 -0.0705 -0.0731 -0.0731 0.878 -2.1997 -2.1997 0.878 -0.3053 1.6627 1.4602 1.454 0.4633 0.8752 2.1997 -1.0571 -1.0571 -2.8163 -2.3286 -2.3286 -2.8163 -0.8972 2.2501 2.0802 0.3321 1.0668 1.7866 2.6621 2.6128 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 7 10 11 12 13 14 6 16 7 11 10 12 13 15 14 16 15 -1 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 254 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 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 00000371C07230000000000000000004000000000001220400002C0000000000100040018000001E00000800000C08E19E063E8092081600A0033467440082882031222008D820386498093062C09191842008608000C9C8071080000E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ethylene glycol;2-(2H-furan-2-id-3-yl)-4-methyl-pyridine;platinum IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ethane-1,2-diol;2-(2H-furan-2-id-3-yl)-4-methylpyridine;platinum IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ethane-1,2-diol;2-(2<I>H</I>-furan-2-id-3-yl)-4-methylpyridine;platinum IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ethane-1,2-diol;2-(2H-furan-2-id-3-yl)-4-methylpyridine;platinum IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ethane-1,2-diol;2-(2H-furan-2-id-3-yl)-4-methyl-pyridine;platinum IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ethylene glycol;2-(2H-furan-2-id-3-yl)-4-methyl-pyridine;platinum InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H8NO.C2H6O2.Pt/c1-8-2-4-11-10(6-8)9-3-5-12-7-9;3-1-2-4;/h2-6H,1H3;3-4H,1-2H2;/q-1;; InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 YIMJOHJIFPDGAM-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 415.062163 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C12H14NO3Pt- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.08.13 415.33 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=NC=C1)C2=[C-]OC=C2.C(CO)O.[Pt] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=NC=C1)C2=[C-]OC=C2.C(CO)O.[Pt] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 62.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 415.062163 17 0 0 0 0 0 0 0 3 -1