159765 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 82 8 8 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 4 -1 5 -1 2 2 3 3 4 5 6 7 8 8 8 9 9 9 10 11 12 12 13 13 14 14 15 15 16 16 17 17 18 19 10 30 11 31 20 21 20 21 10 12 20 11 13 21 14 15 16 22 17 23 18 24 19 25 18 26 19 27 28 29 1 1 1 1 1 1 2 2 1 2 1 1 2 1 2 2 1 1 1 1 1 1 1 1 2 1 2 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 5.135 7.7331 2.5369 6.001 5.135 5.135 3.403 6.8671 4.269 7.7331 3.403 6.8671 5.135 8.5991 3.403 7.7331 5.135 8.5991 4.269 6.001 4.269 6.3301 5.672 9.136 2.866 7.7331 5.672 9.136 4.269 8.27 2 0.5 1 -2 1 -0.5 2.5 -0.5 2.5 -2 2 -2.5 3.5 -2.5 2.5 -3.5 4 -3.5 3.5 -4 2 -1 3.81 -2.19 2.19 -3.81 4.62 -3.81 3.81 -4.62 0.69 -2.31 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 10 11 12 13 14 15 16 17 10 12 11 13 14 15 16 17 18 19 18 19 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 127 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0703800000000000000000040000000000000000000306000000000000000014000001A00000800000C04809800300E80000200880220D208000200002420000888010608C808273682151280714025E01108998788C8208E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 plumbous;2-hydroxybenzoate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxybenzoate;lead(2+) IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxybenzoate;lead(2+) IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxybenzoate;lead(2+) IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 lead(2+);2-oxidanylbenzoate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 plumbous;salicylate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/2C7H6O3.Pb/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 CNVULGHYDPMIHD-UHFFFAOYSA-L Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 482.02439 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H10O6Pb Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.08.13 481 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)C(=O)[O-])O.C1=CC=C(C(=C1)C(=O)[O-])O.[Pb+2] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)C(=O)[O-])O.C1=CC=C(C(=C1)C(=O)[O-])O.[Pb+2] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 121 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 482.02439 21 0 0 0 0 0 0 0 3 -1