70634346 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 8 8 7 7 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 2 2 3 3 3 4 5 5 6 6 6 7 7 8 9 10 10 10 11 11 12 12 13 13 14 15 15 17 17 18 19 19 19 20 20 20 21 21 21 14 20 16 21 4 5 9 8 7 13 8 9 11 10 15 12 22 19 23 24 14 25 16 26 17 27 16 18 28 18 29 33 30 31 32 34 35 36 37 38 39 1 1 1 1 1 1 1 2 1 2 1 2 1 1 2 1 1 1 1 1 2 1 2 1 1 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 2 2 6.1279 5.5443 7.1279 4.5981 7.6279 4.5981 5.5443 7.1279 3.732 3.732 7.6279 2.866 8.6279 2.866 8.6279 9.1279 7.6279 2 2 5.7369 6.653 6.653 3.732 3.732 7.3179 8.9379 8.9379 7.091 7.9379 8.1648 9.7479 2.62 2 1.38 1.38 2 2.62 1.299 -0.701 0.299 -0.5057 0.299 0.799 -0.567 -0.201 1.1038 -1.433 1.299 -0.701 1.1651 0.799 -0.567 -0.201 1.1651 0.299 -2.299 2.299 -1.701 1.6931 -1.0345 -1.8315 1.919 -1.321 1.702 -1.1039 1.702 -2.609 -2.836 -1.989 0.299 2.299 2.919 2.299 -1.701 -2.321 -1.701 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 5 5 6 6 6 7 8 11 12 13 14 15 17 4 9 8 7 13 8 9 11 15 12 14 16 17 16 18 18 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 339 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B300000000000000000000000000000016000000030600000000000005801F400001E00080000000C0CC19E063EC6F2080400A20334674400920C2031A2001898203EEC980D26E2C4F1DB84B42A66C819CAE807B0D0930E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-ethylphenyl)-5,6-dimethoxy-indazole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-ethylphenyl)-5,6-dimethoxyindazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-ethylphenyl)-5,6-dimethoxyindazole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-ethylphenyl)-5,6-dimethoxyindazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-ethylphenyl)-5,6-dimethoxy-indazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-ethylphenyl)-5,6-dimethoxy-indazole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H18N2O2/c1-4-12-7-5-6-8-15(12)19-11-13-9-16(20-2)17(21-3)10-14(13)18-19/h5-11H,4H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 AYUHYQSEVPRPEN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 282.136827821 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H18N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 282.34 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC1=CC=CC=C1N2C=C3C=C(C(=CC3=N2)OC)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC1=CC=CC=C1N2C=C3C=C(C(=CC3=N2)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 36.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 282.136827821 21 0 0 0 0 0 0 0 1 -1