8418 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 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 1 2 2 3 3 3 4 4 5 6 7 7 8 8 9 9 10 10 11 11 12 13 13 14 2 5 7 6 8 4 5 9 6 10 15 16 11 17 12 18 13 19 14 20 12 21 22 14 23 24 1 2 1 2 1 1 1 2 1 2 1 1 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 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 4.666 4.666 2.9132 2.9132 6.4188 6.4188 1.4643 1.4643 7.8678 7.8678 -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 -1.62 1.62 -1.6546 1.6546 -1.6546 1.6546 -0.8329 0.8329 -0.8329 0.8329 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 1 2 2 3 3 3 4 4 7 8 9 10 11 13 2 5 7 6 8 4 5 9 6 10 11 12 13 14 12 14 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 154 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 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 00000371C07000000000000000000000000000000000000000003060C0000000000000C15400001800000000000C008018003000C00000008002204200000200002000000888000000880820228011108020002080000888070080C00EC0000200001000008000040000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 anthracene IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 anthracene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 anthracene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 anthracene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 anthracene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 anthracene InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MWPLVEDNUUSJAV-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 178.078250319 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H10 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 178.23 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C=C3C=CC=CC3=CC2=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C=C3C=CC=CC3=CC2=C1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 178.078250319 14 0 0 0 0 0 0 0 1 -1