123069 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 3 3 3 4 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 14 15 4 5 7 4 6 8 15 9 16 10 17 11 18 12 19 13 20 14 21 13 22 14 23 24 25 2 1 2 1 1 2 1 2 1 1 1 1 2 1 2 1 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 2 3.732 4.5981 3.732 2.866 5.4641 4.5981 4.5981 2.866 6.3301 4.5981 5.4641 3.732 6.3301 2.866 2.3291 5.4641 5.135 4.0611 2.3291 6.8671 5.135 5.4641 3.732 6.8671 1.5 -0.5 1 0.5 -1 0.5 -1 2 -2 1 -2 2.5 -2.5 2 1 -0.69 -0.12 -0.69 2.31 -2.31 0.69 -2.31 3.12 -3.12 2.31 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 5 6 7 8 9 10 11 12 5 7 6 8 9 10 11 12 13 14 13 14 0 Compound Canonicalized 5 2021.10.14 0 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 218 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0702000000000000000000000000000000000000000306000000000000000014000001A00000000000C008098003000800000008802205200000200002000000888000000880820228011108020002080000888070080C00E00000000000000000000000000000000000000000000 InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H10O/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZWJPCOALBPMBIC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.2 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 C1=CC=C(C=C1)C(=C=O)C2=CC=CC=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C(=C=O)C2=CC=CC=C2 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