611783 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 17 7 7 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 6 7 8 8 9 9 10 10 11 11 12 13 13 14 15 12 3 6 7 5 6 8 7 9 10 11 12 16 13 17 14 18 15 19 14 15 20 21 22 1 2 1 1 1 2 1 1 2 1 2 2 1 1 1 2 1 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 2 5.5301 6.3961 4.6641 5.5301 4.6641 6.3961 3.7702 5.5141 3.7702 7.3062 2.8641 6.4121 2.8641 7.3142 3.7773 4.9736 3.7773 7.8395 6.4097 2.3284 7.8523 0.2568 -1.7673 -1.2673 -0.2673 0.2327 -1.2673 -0.2673 0.2674 1.2742 -1.802 0.2395 -0.2465 1.802 -1.2881 1.2812 0.8873 1.578 -2.4219 -0.0766 2.422 -1.6002 1.5891 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 4 4 4 5 5 6 7 8 9 10 11 12 13 3 6 7 5 6 8 7 9 10 11 12 13 14 15 14 15 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 234 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 00000371807300000400000000000000000000000000000000003C6080000000000000B1FC00001C02080000000C0A811E2030C0F0000000A203246240009204002007001898203066980820A281939180A00060880008C8071080C00E80004020000200000000804000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chlorobenzo[c]cinnoline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chlorobenzo[c]cinnoline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chlorobenzo[c]cinnoline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chlorobenzo[c]cinnoline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chloranylbenzo[c]cinnoline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chlorobenzo[c]cinnoline InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H7ClN2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-15-12/h1-7H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BSDGNTCUCRWUSU-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 214.0297759 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H7ClN2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 214.65 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C3=C(C=CC(=C3)Cl)N=N2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C3=C(C=CC(=C3)Cl)N=N2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 25.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 214.0297759 15 0 0 0 0 0 0 0 1 -1