70289707 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 32 33 34 35 36 37 38 39 40 41 42 43 44 8 8 8 7 7 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 1 1 1 1 1 1 1 2 2 3 3 4 4 4 5 6 6 6 7 7 7 8 9 10 10 11 11 12 12 13 15 15 16 16 17 17 17 18 19 20 21 21 21 22 22 22 23 23 24 24 24 13 21 14 22 20 24 5 6 9 8 10 25 26 8 9 11 12 27 15 16 13 28 14 29 14 18 30 19 31 18 19 20 32 33 23 34 35 36 37 38 39 40 41 42 43 44 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 2 1 2 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 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 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 2 2 10.1279 6.1279 5.5443 7.1279 4.5981 4.5981 5.5443 7.6279 3.732 3.732 2.866 2.866 8.6279 7.1279 8.6279 9.1279 7.6279 9.1279 2 2 8.6279 10.6279 7.7105 7.0202 5.7369 3.732 3.732 8.9379 6.5079 9.7479 7.3179 2.62 2 1.38 1.38 2 2.62 8.0079 8.9379 10.091 10.9379 11.1648 2.1651 0.1651 -2.299 1.1651 0.3603 1.1651 1.6651 0.6651 1.9698 0.299 2.1651 0.1651 1.6651 0.6651 0.299 -0.567 -1.433 -0.567 -1.433 -2.299 3.1651 -0.8349 -3.1651 -3.1651 1.3771 1.7756 2.5591 2.7851 -0.4549 0.836 -0.567 -0.567 -1.97 3.1651 3.7851 3.1651 -0.8349 -1.4549 -0.8349 -3.1651 -3.702 -3.4751 -3.702 -2.8551 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 7 7 7 8 10 10 11 12 13 15 16 17 17 5 9 8 8 9 11 12 15 16 13 14 14 18 19 18 19 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 423 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B300000000000000000000000000000016000000030600000000000005801F400001E00080000000C0CC19E063EC6F2080400A20334674400920C0031A20018D8203EEC980D26A2C4F1DB84B42A66C819CAE807B0D0330E6040010200024000C080020400048000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5,6-dimethoxy-2-[[4-(1-methoxyvinyl)phenyl]methyl]indazole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5,6-dimethoxy-2-[[4-(1-methoxyethenyl)phenyl]methyl]indazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5,6-dimethoxy-2-[[4-(1-methoxyethenyl)phenyl]methyl]indazole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5,6-dimethoxy-2-[[4-(1-methoxyethenyl)phenyl]methyl]indazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5,6-dimethoxy-2-[[4-(1-methoxyethenyl)phenyl]methyl]indazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5,6-dimethoxy-2-[4-(1-methoxyvinyl)benzyl]indazole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H20N2O3/c1-13(22-2)15-7-5-14(6-8-15)11-21-12-16-9-18(23-3)19(24-4)10-17(16)20-21/h5-10,12H,1,11H2,2-4H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 MRPSDOANZLCOOZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 324.14739250 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H20N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 324.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC2=CN(N=C2C=C1OC)CC3=CC=C(C=C3)C(=C)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC2=CN(N=C2C=C1OC)CC3=CC=C(C=C3)C(=C)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 45.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 324.14739250 24 0 0 0 0 0 0 0 1 -1