57338792 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 8 8 7 7 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 2 2 3 3 3 4 5 5 5 6 7 8 8 9 9 10 10 11 13 13 13 14 14 15 15 16 16 17 17 18 19 19 19 20 20 20 11 19 12 20 4 6 13 7 6 7 8 9 10 11 21 12 22 14 15 12 23 24 25 16 26 17 27 18 28 18 29 30 31 32 33 34 35 36 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 2 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 2.866 2.866 6.4103 6.9939 5.4641 5.4641 6.4103 4.5981 4.5981 6.721 3.732 3.732 6.721 6.0531 7.6995 6.3638 8.0102 7.3423 2 2.866 4.5981 4.5981 6.1317 6.9136 7.3103 5.4465 8.1136 5.9497 8.6168 7.5349 1.69 1.4631 2.31 2.246 2.866 3.486 0.1719 -1.8282 -1.6329 -0.8281 -0.3281 -1.3282 -0.0234 0.1719 -1.8282 0.9271 -0.3281 -1.3282 -2.5834 1.6714 1.1333 2.6219 2.0838 2.8282 -0.3281 -2.8282 0.7919 -2.4482 -2.776 -3.1727 -2.3908 1.5436 0.6719 3.0834 2.2117 3.4175 0.2088 -0.6381 -0.8651 -2.8282 -3.4482 -2.8282 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 5 5 5 6 8 9 10 10 11 14 15 16 17 4 6 7 6 7 8 9 11 12 14 15 12 16 17 18 18 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 320 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B300000000000000000000000000000016000000030600000000000005801F400001E00080000000C0C819E0632C6F2080400A20324624400920C0021A20018D8203EEC980D26A2C4F1DB84B42A66C8194AE807B0D0F30E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5,6-dimethoxy-1-methyl-3-phenyl-indazole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5,6-dimethoxy-1-methyl-3-phenylindazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5,6-dimethoxy-1-methyl-3-phenylindazole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5,6-dimethoxy-1-methyl-3-phenylindazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5,6-dimethoxy-1-methyl-3-phenyl-indazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5,6-dimethoxy-1-methyl-3-phenyl-indazole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H16N2O2/c1-18-13-10-15(20-3)14(19-2)9-12(13)16(17-18)11-7-5-4-6-8-11/h4-10H,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 NQXGRAUPDCFFMQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 268.121177757 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H16N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 268.31 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C2=CC(=C(C=C2C(=N1)C3=CC=CC=C3)OC)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C2=CC(=C(C=C2C(=N1)C3=CC=CC=C3)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 2021.05.07 268.121177757 20 0 0 0 0 0 0 0 1 -1