70562843 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 29 8 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 5 6 6 7 7 8 8 9 9 10 11 11 12 5 20 4 5 7 6 8 9 10 13 11 14 12 15 10 16 17 12 18 19 1 1 1 1 2 1 2 2 2 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 2.048 1.403 2.269 2.269 1.403 1.403 3.1629 3.1629 0.5369 0.5369 4.069 4.069 1.403 3.1558 3.1558 0 0 4.6047 4.6047 0.866 0 2.8534 4.3534 5.3534 3.8534 5.8534 3.8187 5.888 4.3534 5.3534 4.3326 5.3742 6.4734 3.1988 6.508 4.0434 5.6634 4.0205 5.6862 2.5434 8 8 8 8 8 8 8 8 8 8 8 3 3 3 4 4 5 6 7 8 9 11 4 5 7 6 8 9 10 11 12 10 12 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 133 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 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 00000371C0702000000000040000000000000000000000000000306000000000000000C15000001A00000800000C048098003006C000020080022042000002000020200008880006088808262282111280700024C01108980780C0B00E80000100001800000000020000300000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;naphthalen-1-ol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;1-naphthalenol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;naphthalen-1-ol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;naphthalen-1-ol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;naphthalen-1-ol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;1-naphthol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H8O.Cu/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7,11H; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 JZAXBLMQBSQDJA-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 206.987112 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H8CuO Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 207.72 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C=CC=C2O.[Cu] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C=CC=C2O.[Cu] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 20.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 206.987112 12 0 0 0 0 0 0 0 2 -1