60139340 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 78 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 1 1 5 -1 1 1 1 1 2 2 3 3 4 4 5 5 6 6 7 7 7 8 8 8 9 10 10 11 11 11 12 12 13 13 14 14 15 15 16 2 3 4 5 11 23 12 24 9 13 6 7 8 9 10 17 18 10 19 20 14 21 22 12 25 26 27 28 15 29 16 30 16 31 32 6 6 6 6 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 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 4.1095 4.9185 3.3004 4.9185 3.3004 3.6095 2.3064 2.8037 4.6095 2 4.6095 3.6095 5.9339 5.2944 6.6368 6.3149 1.6997 2.3699 3.2176 2.3882 1.6898 1.4335 5.5081 2.7108 4.5446 5.2159 3.003 3.6743 6.1186 5.096 7.2428 6.728 -0.3924 -0.9802 -0.9802 0.1954 0.1954 1.1465 0.198 1.7287 1.1465 1.1437 -1.9312 -1.9312 -0.0368 1.9312 0.7319 1.7225 0.07 -0.4187 2.1903 2.1888 1.6805 0.8917 -0.7886 -0.7886 -2.5478 -2.0601 -2.0601 -2.5478 -0.6287 2.5186 0.6006 2.1848 8 8 8 8 8 8 4 4 9 13 14 15 9 13 14 15 16 16 -1 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 196 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 00000371E07230000000000000000004000000000001220400002C0000000000160040018000001E00000800000C08E196063C8092081200A0033467440082802031022008D8203864980930E2C09191842008608000C9C8071080800000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(cyclopenten-1-yl)pyridine;ethylene glycol;platinum IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(1-cyclopentenyl)pyridine;ethane-1,2-diol;platinum IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(cyclopenten-1-yl)pyridine;ethane-1,2-diol;platinum IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(cyclopenten-1-yl)pyridine;ethane-1,2-diol;platinum IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(cyclopenten-1-yl)pyridine;ethane-1,2-diol;platinum IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(cyclopenten-1-yl)pyridine;ethylene glycol;platinum InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H10N.C2H6O2.Pt/c1-2-6-9(5-1)10-7-3-4-8-11-10;3-1-2-4;/h3-4,7-8H,1-2,5H2;3-4H,1-2H2;/q-1;; InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 RKBYAPLFSRSPQZ-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 401.082898 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C12H16NO2Pt- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.08.13 401.34 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C[C-]=C(C1)C2=CC=CC=N2.C(CO)O.[Pt] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C[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 2021.05.07 401.082898 16 0 0 0 0 0 0 0 3 -1