6794 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 35 35 7 7 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 2 -1 3 1 4 1 3 3 3 4 4 4 5 5 5 6 6 7 7 8 9 9 10 10 11 11 12 12 13 13 14 14 15 16 5 7 9 6 8 10 6 17 18 19 20 8 11 12 13 21 14 22 15 23 16 24 15 25 16 26 27 28 1 1 2 1 1 2 1 1 1 1 1 1 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 22 23 24 25 26 27 28 0 5.0705 6.6328 4.9008 6.6328 5.7668 5.7668 4.9008 7.5428 4.0068 5.7508 4.0068 7.5509 3.1008 6.6488 3.1008 6.8449 7.2434 5.3683 6.1654 8.0762 4.014 5.2103 4.014 8.089 2.565 6.6464 2.565 3.448 0 4.7197 3.7197 3.7197 3.2197 5.2197 4.7197 5.2265 3.185 6.2612 5.2543 6.2681 3.6988 6.7889 4.7405 3.1371 3.8273 2.7447 2.7447 4.9103 2.565 6.565 5.8743 6.576 3.3868 7.4089 5.0526 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 7 8 9 10 11 12 13 14 7 9 8 10 11 12 13 14 15 16 15 16 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 183 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 00000371C07300000018000000000000000000000000000000002C58B0000000000000B1E000001C00000000000808C116043C80930C1000A0013467440082802031022008D8203864980860E2C09191942008608000C8C8071080800000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7,10-diazoniatricyclo[8.4.0.0<SUP>2,7</SUP>]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H12N2.2BrH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;/h1-8H,9-10H2;2*1H/q+2;;/p-2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ODPOAESBSUKMHD-UHFFFAOYSA-L Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 343.93467 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H12Br2N2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 344.04 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-].[Br-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-].[Br-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 341.93672 16 0 0 0 0 0 0 0 3 -1