568 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 8 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 5 6 6 7 7 8 8 9 9 10 10 11 11 12 13 4 5 3 4 6 5 7 8 9 10 14 11 15 12 16 13 17 12 18 13 19 20 21 1 1 1 1 2 1 2 2 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 4.5274 5.0274 4.0274 5.3364 3.7183 5.7123 3.3424 6.3518 2.7029 6.7328 2.3219 7.0547 2 5.5139 3.5408 6.5365 2.5182 7.1459 1.9088 7.6607 1.394 1.1618 -0.3771 -0.3771 0.574 0.574 -1.1618 -1.1618 0.8063 0.8063 -0.9531 -0.9531 0.0376 0.0376 -1.7492 -1.7492 1.3981 1.3981 -1.4154 -1.4154 0.1688 0.1688 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 2 3 3 4 5 6 7 8 9 10 11 4 5 3 4 6 5 7 8 9 10 11 12 13 12 13 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 170 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 00000371C070200000000000000000000000000000012000000030600000000000004801FC00001A00000000000C048098003006C00004408802A05200000208002420000888010608C80C263284351A823920A4C01108A98788C8E08E80000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dibenzofuran IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dibenzofuran IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dibenzofuran IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dibenzofuran IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dibenzofuran IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dibenzofuran InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 TXCDCPKCNAJMEE-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 168.057514874 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H8O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 168.19 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C3=CC=CC=C3O2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C3=CC=CC=C3O2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 13.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 168.057514874 13 0 0 0 0 0 0 0 1 -1