2950 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 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 2 3 3 4 4 5 5 5 6 6 6 7 7 8 8 11 12 13 13 14 14 15 15 16 16 17 18 9 10 11 25 12 26 7 9 11 8 9 12 10 13 10 14 15 16 17 19 18 20 17 21 18 22 23 24 2 2 1 1 1 1 2 1 1 2 1 1 1 1 1 1 2 2 2 1 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 4.666 4.666 6.4144 2.9176 5.5321 3.8 5.5321 3.8 4.666 4.666 6.426 2.9061 6.426 2.9061 7.3321 2 7.3321 2 6.4188 2.9132 7.8678 1.4643 7.8678 1.4643 6.9478 2.3843 1.8246 -2.1754 1.8592 1.8592 0.3246 0.3246 -0.6754 -0.6754 0.8246 -1.1754 0.8593 0.8593 -1.21 -1.21 0.3454 0.3454 -0.6962 -0.6962 -1.83 -1.83 0.6575 0.6575 -1.0083 -1.0083 2.1754 2.1754 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 7 8 11 12 13 14 15 16 7 11 8 12 13 14 15 16 17 18 17 18 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 346 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C07038000000000000000000000000000000000000003060C0000000000000C14000001A00000800000C048098003006800002008802A05200000200002420000888010608C808263682151280714024E0110899878BE8F48E80000100001800008000060000300000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 1,8-dihydroxyanthracene-9,10-dione IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 1,8-dihydroxyanthracene-9,10-dione IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 1,8-dihydroxyanthracene-9,10-dione IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 1,8-bis(oxidanyl)anthracene-9,10-dione IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 1,8-dihydroxy-9,10-anthraquinone InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 QBPFLULOKWLNNW-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 3.2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 240.042259 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C14H8O4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 240.21092 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 74.6 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 240.042259 18 0 0 0 0 0 0 0 1 14