14694528 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 27 27 27 27 27 27 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 1 8 1 9 1 10 1 11 1 12 1 13 1 14 1 15 1 16 1 17 1 18 1 19 1 20 1 21 1 22 1 23 -1 24 -1 25 -1 26 -1 27 -1 28 -1 29 -1 30 -1 31 -1 32 -1 33 -1 34 -1 35 -1 36 -1 37 -1 38 -1 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 10.1962 10.1962 10.1962 10.1962 4.732 4.732 6.4641 8.4641 6.4641 3 3 11.9282 8.4641 11.9282 11.9282 8.4641 0 9.6962 13.9282 11.9282 9.6962 8.4641 5.5981 9.3301 5.5981 3.866 3.866 11.0622 9.3301 11.0622 11.0622 9.3301 1 10.6962 14.9282 11.0622 10.6962 9.3301 0 3 6 9 5.5 8.5 6.5 4 9.5 6.5 9.5 1 1 4 10 10 7.25 12 7.25 7 14.5 7 6 3.5 9 6 9 0.5 0.5 3.5 9.5 9.5 7.25 12 7.25 6.5 14.5 6.5 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 10 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 16 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 0000037100783E000000001000000000000000000000000000000000000000000000000000000002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 carbon monoxide;cobalt IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 carbon monoxide;cobalt IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 carbon monoxide;cobalt IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 carbon monoxide;cobalt IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 carbon monoxide;cobalt IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 carbon monoxide;cobalt InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/16CO.6Co/c16*1-2;;;;;; InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 IIOGZJDQEDCIBS-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 801.51780 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16Co6O16 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 801.76 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].[Co].[Co].[Co].[Co] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].[Co].[Co].[Co].[Co] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 16 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 801.51780 38 0 0 0 0 0 0 0 22 -1