14008926 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 30 31 6 6 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 6 6 7 7 7 8 8 9 9 10 11 12 12 13 14 14 15 15 16 16 17 17 18 19 2 3 5 4 6 8 9 7 14 10 12 11 15 10 20 21 11 16 13 17 22 23 13 24 25 18 26 18 27 19 28 19 29 30 31 2 1 1 1 1 1 2 1 2 2 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 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 23 24 25 26 27 28 29 30 31 4.6153 5.4814 3.7493 6.3408 4.6314 5.4814 6.3543 3.7493 2.8393 5.5085 4.6153 3.7334 2.8313 7.2233 6.3522 2.8911 2 7.229 2.0256 6.5789 6.9628 5.5284 4.6153 3.7358 2.2932 7.7572 6.3485 2.8957 1.4534 7.7665 1.4949 -0.2225 0.2775 0.2775 -0.2172 -1.264 1.2776 -1.2088 1.2776 -0.2293 -1.7267 1.7776 -1.7917 -1.2709 0.2767 1.7917 1.7745 0.2989 1.2879 1.2903 -1.7867 -1.0904 -2.3464 2.3976 -2.4117 -1.5788 -0.0384 2.4117 2.3945 0.0063 1.597 1.6108 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 1 2 2 3 3 4 5 6 6 8 8 9 9 12 14 15 16 17 2 3 5 4 6 8 9 14 12 11 15 11 16 13 17 13 18 18 19 19 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 443 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07800000000000000000000000000000000000000003060C1020000000000C15400001800000000000C008018003000C00000008002204200000200002000000888000000880820228011108020002080000888070080C00EC0000200001000008000040000200000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,11,13,15(19),16-nonaene IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,11,13,15(19),16-nonaene IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 pentacyclo[13.3.1.0<SUP>5,18</SUP>.0<SUP>8,17</SUP>.0<SUP>11,16</SUP>]nonadeca-1,3,5(18),6,8,11,13,15(19),16-nonaene IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,11,13,15(19),16-nonaene IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,11,13,15(19),16-nonaene IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,11,13,15(19),16-nonaene InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H12/c1-3-12-7-9-14-10-8-13-4-2-6-16-11-15(5-1)17(12)19(14)18(13)16/h1-7,9-11H,8H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QFPJPOONTXRLHG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 240.093900383 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H12 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 240.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1C=C2C=CC3=C4C2=C5C1=CC=CC5=CC4=CC=C3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1C=C2C=CC3=C4C2=C5C1=CC=CC5=CC4=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 240.093900383 19 0 0 0 0 0 0 0 1 -1