66748202 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 27 8 8 7 6 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 2 3 4 4 4 5 5 5 6 6 6 7 9 9 11 11 12 12 13 13 14 14 15 15 16 17 17 18 18 19 8 29 10 7 10 20 7 8 11 8 9 10 12 13 14 15 21 16 22 17 23 18 24 16 25 26 19 27 19 28 30 1 1 2 1 1 1 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 2 1 2 1 1 2 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 28 29 30 3.3488 3.2018 4.9338 3.2018 2.3358 4.0678 2.3358 3.2018 4.9338 4.0678 1.4418 1.4418 5.7998 4.9338 0.5357 0.5357 6.6659 5.7998 6.6659 3.2018 1.449 1.449 5.7998 4.3969 0 0 7.2028 5.7998 2.6648 7.2028 0 6.1806 3.1806 3.1806 4.6806 4.6806 3.6806 5.1806 5.1806 3.6806 5.2153 3.146 4.6806 6.1806 4.7014 3.6598 5.1806 6.6806 6.1806 2.5606 5.8353 2.526 4.0606 6.4906 5.0135 3.3478 4.8706 7.3006 6.4906 6.4906 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 5 6 6 7 9 9 11 12 13 14 15 17 18 7 10 7 8 11 8 10 12 13 14 15 16 17 18 16 19 19 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 369 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0723000000000100000000000000000000000000000306080000000000000814000001E00100800000C0C81980030C082C00200880225525000820000212200088801006CC8082632C0959184700866D401C8D90798C8A08E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 cobalt;4-hydroxy-3-phenyl-1H-quinolin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 cobalt;4-hydroxy-3-phenyl-1H-quinolin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 cobalt;4-hydroxy-3-phenyl-1<I>H</I>-quinolin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 cobalt;4-hydroxy-3-phenyl-1H-quinolin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 cobalt;4-oxidanyl-3-phenyl-1H-quinolin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 cobalt;4-hydroxy-3-phenyl-carbostyril InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H11NO2.Co/c17-14-11-8-4-5-9-12(11)16-15(18)13(14)10-6-2-1-3-7-10;/h1-9H,(H2,16,17,18); InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 JYESTNZJOQJLCR-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 296.012172 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H11CoNO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 296.19 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C2=C(C3=CC=CC=C3NC2=O)O.[Co] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C2=C(C3=CC=CC=C3NC2=O)O.[Co] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 49.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 296.012172 19 0 0 0 0 0 0 0 2 -1