7018 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 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 2 2 2 2 3 3 4 4 5 5 6 6 8 8 9 9 10 10 11 11 12 12 13 13 14 15 7 3 4 16 17 5 8 6 9 7 10 7 11 12 18 13 19 14 20 15 21 14 22 15 23 24 25 2 1 1 1 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 1 2 1 2 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 4.666 4.666 5.5321 3.8 5.5321 3.8 4.666 6.426 2.9061 6.426 2.9061 7.3321 2 7.3321 2 4.2675 5.0646 6.4188 2.9132 6.4188 2.9132 7.8678 1.4643 7.8678 1.4643 1.5173 -1.4827 -0.9827 -0.9827 0.0173 0.0173 0.5173 -1.5173 -1.5173 0.552 0.552 -1.0035 -1.0035 0.0381 0.0381 -1.9576 -1.9576 -2.1373 -2.1373 1.172 1.172 -1.3156 -1.3156 0.3502 0.3502 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 6 8 9 10 11 12 13 5 8 6 9 10 11 12 13 14 15 14 15 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 234 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 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 00000371C07020000000000000000000000000000000000000003060C0000000000000C14000001A00000000000C048098003000800000008802A05200000200002400000888010000C80820328015108021002080000889870888C08E80000000001000008000040000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10H-anthracen-9-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10H-anthracen-9-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10<I>H</I>-anthracen-9-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10H-anthracen-9-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10H-anthracen-9-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10H-anthracen-9-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8H,9H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RJGDLRCDCYRQOQ-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 194.073164938 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H10O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 194.23 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C2=CC=CC=C2C(=O)C3=CC=CC=C31 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C2=CC=CC=C2C(=O)C3=CC=CC=C31 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 17.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 194.073164938 15 0 0 0 0 0 0 0 1 -1