6734 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 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 2 2 3 3 3 4 5 6 6 7 7 8 8 9 9 10 10 11 12 4 5 6 3 4 13 14 5 15 16 7 8 9 10 11 17 12 18 11 19 12 20 21 22 1 1 2 1 1 1 1 1 1 1 2 2 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 3.8 3.3073 4.3009 2.9061 4.666 3.8 2 5.5321 2.9061 4.666 2 5.5321 3.401 2.7121 4.9025 4.2315 1.4643 6.069 2.9132 4.666 1.4643 6.069 0.0454 1.4893 1.4697 0.58 0.5454 -0.9546 0.0662 0.0454 -1.4893 -1.4546 -0.9754 -0.9546 2.1022 1.6628 1.6196 2.0858 0.3783 0.3554 -2.1092 -2.0746 -1.2875 -1.2646 8 8 8 8 8 8 8 8 8 8 8 1 1 1 4 5 6 6 7 8 9 10 4 5 6 7 8 9 10 11 12 11 12 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 155 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 00000371C0700000000000000000000000000000000180000000306000000000000060C15000001800000000000C008018003000C00000008002204200000200002000000888000000880820228011108020002080000888070080C00E80000200001000000000040000200001000008000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2-dihydroacenaphthylene IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2-dihydroacenaphthylene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2-dihydroacenaphthylene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2-dihydroacenaphthylene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2-dihydroacenaphthylene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 acenaphthene InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 CWRYPZZKDGJXCA-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 154.078250319 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H10 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 154.21 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC2=CC=CC3=C2C1=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC2=CC=CC3=C2C1=CC=C3 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 2021.10.14 154.078250319 12 0 0 0 0 0 0 0 1 -1