21082 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 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 1 2 2 3 3 3 4 4 5 5 5 6 6 9 9 10 10 11 11 12 12 13 13 14 15 15 16 7 25 8 26 4 7 9 8 10 6 7 11 8 12 13 17 14 18 15 19 16 20 14 21 22 16 23 24 1 1 1 1 1 2 1 2 1 1 1 2 1 2 2 1 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 21 22 23 24 25 26 4.666 4.666 3.8 3.8 5.5321 5.5321 4.666 4.666 2.9061 2.9061 6.426 6.426 2 2 7.3321 7.3321 2.9132 2.9132 6.4188 6.4188 1.4643 1.4643 7.8678 7.8678 4.1291 5.203 -2 2 -0.5 0.5 -0.5 0.5 -1 1 -1.0347 1.0347 -1.0347 1.0347 -0.5208 0.5208 -0.5208 0.5208 -1.6546 1.6546 -1.6546 1.6546 -0.8329 0.8329 -0.8329 0.8329 -2.31 2.31 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 4 4 5 5 5 6 6 9 10 11 12 13 15 4 7 9 8 10 6 7 11 8 12 13 14 15 16 14 16 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 203 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07030000000000000000000000000000000000000003060C0000000000000C15400001A00000800000C048098003006C000020080022042000002000020200008880004088808262282111280700024C011089807C0C0F00EC1000300001800008200060000300000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 anthracene-9,10-diol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 anthracene-9,10-diol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 anthracene-9,10-diol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 anthracene-9,10-diol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 anthracene-9,10-diol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 anthracene-9,10-diol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H10O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8,15-16H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 PCFMUWBCZZUMRX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 210.068079557 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H10O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 210.23 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 40.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 210.068079557 16 0 0 0 0 0 0 0 1 -1