130801 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 26 27 28 29 6 6 6 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 1 1 2 2 3 3 4 4 5 5 5 6 6 7 7 8 9 9 10 10 11 11 12 13 14 14 15 15 16 16 17 2 3 9 4 11 5 7 6 8 12 18 19 10 14 8 20 21 12 22 13 15 13 23 24 25 16 26 17 27 17 28 29 1 2 1 2 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 2 2 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 25 26 27 28 29 6.5251 5.6591 6.5251 4.7931 7.4714 3.8831 5.6591 4.7931 7.4714 3.8751 5.6752 8.055 4.7771 2.9562 2.9396 2.0084 2 8.0087 7.2203 5.6591 4.2562 7.664 6.2157 8.675 4.7795 2.9682 2.942 1.475 1.4619 0.2991 -0.2009 1.2991 0.2991 1.6038 -0.2078 1.7991 1.2991 -0.0056 -1.2494 -1.2424 0.7991 -1.7702 0.3563 -1.7991 -0.1716 -1.2566 1.913 2.1707 2.4191 1.6091 -0.595 -1.5462 0.7991 -2.3902 0.9762 -2.4191 0.1446 -1.5645 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 3 4 4 6 6 7 10 10 11 14 15 16 2 3 4 11 7 6 8 10 14 8 13 15 13 16 17 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 316 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 00000371C07800000000000000000000000000000001000000003060C0000000000040C15400001800000000000C008018003000C00000008002204200000200002000000888000000880820228011108020002080000888070080C00EC0000200001000008000040000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 17H-cyclopenta[a]phenanthrene IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 17H-cyclopenta[a]phenanthrene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 17<I>H</I>-cyclopenta[a]phenanthrene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 17H-cyclopenta[a]phenanthrene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 17H-cyclopenta[a]phenanthrene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 17H-cyclopenta[a]phenanthrene InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C17H12/c1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17/h1-4,6-11H,5H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WTBYIGJBYRZQDP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 216.093900383 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C17H12 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 216.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C=CC2=C1C=CC3=C2C=CC4=CC=CC=C43 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C=CC2=C1C=CC3=C2C=CC4=CC=CC=C43 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 2021.10.14 216.093900383 17 0 0 0 0 0 0 0 1 1