6603770 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 78 8 8 8 8 7 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 5 6 6 6 7 7 7 8 8 8 8 9 9 9 10 10 10 11 11 2 3 6 7 12 20 13 21 12 13 22 23 24 25 26 27 9 10 12 13 11 14 15 11 16 17 18 19 6 6 6 6 1 1 1 1 2 2 1 1 1 1 1 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 3.732 2.866 4.5981 2 5.4641 4.232 2.966 3.732 4.4392 3.0249 3.732 2.866 4.5981 4.8776 4.8776 2.5865 2.5865 3.2936 4.1705 2.246 5.135 4.542 4.769 3.8335 2.4911 2.5675 3.0737 1.0056 0.5056 0.5056 -0.9944 -0.9944 1.8716 1.6484 -0.9944 -1.7015 -1.7015 -2.4086 -0.4944 -0.4944 -2.1399 -1.2631 -1.2631 -2.1399 -2.847 -2.847 0.5056 0.8156 2.4086 1.5616 2.3466 2.0469 1.1735 2.259 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 177 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0633800000000000000000400000000600000000000240000000000000000000000001A00100800000E008080000008000002000800009008000000000000000000010000000000160800000040000520000000008800000D00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ammonia;cyclobutane-1,1-dicarboxylic acid;platinum IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ammonia;cyclobutane-1,1-dicarboxylic acid;platinum IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 azane;cyclobutane-1,1-dicarboxylic acid;platinum IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 azane;cyclobutane-1,1-dicarboxylic acid;platinum IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 azane;cyclobutane-1,1-dicarboxylic acid;platinum IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ammonia;cyclobutane-1,1-dicarboxylic acid;platinum InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C6H8O4.2H3N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H3; InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DVQHYTBCTGYNNN-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 373.060151 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C6H14N2O4Pt Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 373.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC(C1)(C(=O)O)C(=O)O.N.N.[Pt] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC(C1)(C(=O)O)C(=O)O.N.N.[Pt] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 76.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 373.060151 13 0 0 0 0 0 0 0 4 -1