69827215 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 8 6 6 6 6 6 6 6 6 6 6 3 1 1 1 1 1 1 1 1 12 2 1 1 2 2 2 3 3 4 5 5 6 6 7 7 8 8 9 10 10 11 4 20 3 4 6 5 7 8 9 13 10 14 11 15 9 16 17 11 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 1.403 2.269 2.269 1.403 1.403 3.1629 3.1629 0.5369 0.5369 4.069 4.069 2.048 1.403 3.1558 3.1558 0 0 4.6047 4.6047 0.866 0.31 1.81 2.81 1.31 3.31 1.2753 3.3447 1.81 2.81 1.7892 2.8308 5.9993 3.93 0.6554 3.9646 1.5 3.12 1.4771 3.1429 0 8 8 8 8 8 8 8 8 8 8 8 2 2 2 3 3 4 5 6 7 8 10 3 4 6 5 7 8 9 10 11 9 11 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 00000371C8702000000000000000000000000000000000000000306000000000000000C15000001A00000800000C048098003006C000020080022042000002000020200008880006088808262282111280700024C01108980780C0B00E80000100001800000000020000300000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H8O.Li/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 NFOCFQOSWFWNQM-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 151.07351831 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H8LiO Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 151.1 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [Li].C1=CC=C2C(=C1)C=CC=C2O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [Li].C1=CC=C2C(=C1)C=CC=C2O 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 2021.05.07 151.07351831 12 0 0 0 0 0 0 0 2 -1