1720 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 6 6 7 7 8 8 9 10 10 11 11 14 14 15 16 12 13 12 13 21 9 23 24 6 7 8 9 11 10 12 13 14 15 15 17 16 18 16 19 20 22 2 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 2 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 2.0069 5.471 3.7389 2.8138 3.7389 3.7229 2.8729 4.605 2.8457 2.0134 4.6209 2.8729 4.605 5.515 2 5.523 1.4788 4.6185 6.0483 1.4571 3.7389 6.0611 2.2672 3.3405 2.1054 2.1054 2.1054 -2.3984 0.1054 -0.9361 0.6054 0.6054 -1.3989 0.1106 -1.4639 1.6054 1.6054 0.0985 -0.881 -0.9431 0.4246 -2.0839 0.4147 -1.1804 2.7254 -1.251 -2.691 -2.7254 8 8 8 8 8 8 8 8 8 8 8 5 5 5 6 6 7 8 9 10 11 14 6 7 8 9 11 10 14 15 15 16 16 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 342 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 00000371C07330000000000000000000000000000000000000003C6080000000000000F15000001E00100000000C0881980030C0C2C000008802255250008200002402000888010064C808203280959184210860942088C987188BC09E88000240001200001000048000240000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-aminobenzo[de]isoquinoline-1,3-dione IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-aminobenzo[de]isoquinoline-1,3-dione IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-aminobenzo[de]isoquinoline-1,3-dione IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-aminobenzo[de]isoquinoline-1,3-dione IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-azanylbenzo[de]isoquinoline-1,3-dione IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-aminobenzo[de]isoquinoline-1,3-quinone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 SSMIFVHARFVINF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 212.058577502 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H8N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 212.20 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=C(C=CC3=C2C(=C1)C(=O)NC3=O)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=C(C=CC3=C2C(=C1)C(=O)NC3=O)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 72.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 212.058577502 16 0 0 0 0 0 0 0 1 -1