16682839 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 83 33 8 8 8 8 8 8 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 4 6 7 7 9 9 9 10 10 11 11 12 12 13 13 14 15 16 17 17 3 8 3 4 5 10 25 16 17 26 11 16 22 12 13 14 15 14 18 15 19 20 21 17 23 24 1 2 1 1 2 1 1 2 1 1 1 1 1 2 1 2 1 1 1 2 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 4.5981 3.732 3.732 4.732 2.732 2 2 4.5981 3.732 3.732 3.732 4.5981 2.866 4.5981 2.866 2.866 2.866 5.135 2.3291 5.135 2.3291 4.269 3.0781 3.4766 5.042 2 3.56 2.06 3.06 2.06 2.06 -1.94 -3.94 4.56 -1.94 1.06 -0.94 0.56 0.56 -0.44 -0.44 -2.44 -3.44 0.87 0.87 -0.75 -0.75 -2.25 -4.0226 -3.3323 2.5969 -4.56 8 8 8 8 8 8 10 10 11 11 12 13 12 13 14 15 14 15 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 330 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 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0723800000000004000000020000000000000000000300000000000000000010000001E01100800000808A1900230C082C00200880025525002820000210200888C004064880A3022C09191842018609400D8C8071000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [4-[(2-hydroxyacetyl)amino]phenyl]-oxobismuthanyloxy-arsinic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [4-[(2-hydroxy-1-oxoethyl)amino]phenyl]-oxobismuthinyloxyarsinic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [4-[(2-hydroxyacetyl)amino]phenyl]-oxobismuthanyloxyarsinic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [4-[(2-hydroxyacetyl)amino]phenyl]-oxobismuthanyloxyarsinic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [4-(2-oxidanylethanoylamino)phenyl]-oxidanylidenebismuthanyloxy-arsinic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [4-(glycoloylamino)phenyl]-ketobismuthinyloxy-arsinic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C8H10AsNO5.Bi.O/c11-5-8(12)10-7-3-1-6(2-4-7)9(13,14)15;;/h1-4,11H,5H2,(H,10,12)(H2,13,14,15);;/q;+1;/p-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FATAHBJTOKXSDH-UHFFFAOYSA-M Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 498.94498 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C8H9AsBiNO6 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 499.06 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=CC=C1NC(=O)CO)[As](=O)(O)O[Bi]=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=CC=C1NC(=O)CO)[As](=O)(O)O[Bi]=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 113 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 498.94498 17 0 0 0 0 0 0 0 1 -1