3220 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 8 8 8 8 8 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 1 2 3 4 4 5 5 6 6 6 7 7 8 8 8 9 9 12 12 13 14 14 15 16 16 17 18 19 20 20 20 13 28 10 11 15 29 18 30 7 11 12 10 13 9 10 15 11 16 14 21 17 17 20 19 18 22 23 19 24 25 26 27 1 1 2 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 2 1 1 2 2 1 1 1 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 3.7817 5.5301 5.5301 7.2785 9.0602 4.6641 4.6641 6.3961 6.3961 5.5301 5.5301 3.7702 3.7702 2.8641 7.2901 7.2901 2.8641 8.1962 8.1962 2 3.7773 7.2829 2.3284 8.7319 1.6879 1.4643 2.3121 3.2484 7.8118 9.5984 1.8592 1.8246 -2.1754 1.8592 -1.1995 -0.6754 0.3246 0.3246 -0.6754 0.8246 -1.1754 -1.21 0.8593 -0.6962 0.8593 -1.21 0.3454 -0.6962 0.3454 -1.1995 -1.83 -1.83 0.6575 0.6575 -0.6638 -1.5116 -1.7353 2.1754 2.1754 -0.8916 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 8 8 9 12 13 14 15 16 18 7 12 13 9 15 16 14 17 17 19 18 19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 434 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 00000371C07038000000000000000000000000000000000000003060C0000000000000C14000001A00000800000C048098003206800002008802A05200000200002420000088010608C808273682151280714025E0150899878BECF4CEE000030800180000C000061000300000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,8-trihydroxy-6-methyl-anthracene-9,10-dione IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,8-trihydroxy-6-methylanthracene-9,10-dione IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,8-trihydroxy-6-methylanthracene-9,10-dione IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,8-trihydroxy-6-methylanthracene-9,10-dione IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-methyl-1,6,8-tris(oxidanyl)anthracene-9,10-dione IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,8-trihydroxy-6-methyl-9,10-anthraquinone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RHMXXJGYXNZAPX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 270.05282342 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H10O5 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 270.24 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 94.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 270.05282342 20 0 0 0 0 0 0 0 1 -1