644464 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 8 8 7 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 2 2 3 3 3 4 4 4 5 5 6 7 8 8 9 9 10 10 11 11 12 13 14 15 16 16 16 17 17 17 12 16 13 17 6 7 18 5 6 8 7 9 10 11 12 19 13 20 14 21 15 22 14 15 23 24 25 26 27 28 29 30 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 2 1 2 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 2.9789 8.7224 5.8507 5.3507 6.3507 5.0417 6.6597 4.6657 7.0356 4.0263 7.6751 3.6452 8.0562 3.3233 8.378 2 9.7014 5.8507 4.8641 6.8372 3.8415 7.8599 2.7174 8.984 2.1266 1.3931 1.8734 9.8279 10.3083 9.5748 -1.7403 -1.7403 1.1203 -0.4185 -0.4185 0.5325 0.5325 -1.2033 -1.2033 0.7648 0.7648 -0.9946 -0.9946 -0.0039 -0.0039 -1.5362 -1.5362 1.7403 -1.7907 -1.7907 1.3566 1.3566 0.1273 0.1273 -0.9292 -1.4096 -2.1431 -2.1431 -1.4096 -0.9292 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 4 5 5 6 7 8 9 10 11 12 13 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 2021.10.14 245 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C072300000000000000000000000000000016000000030600000000000005801FC00001E00100000000C0C819E0232C6F2C99400A00324624400828820212220089920366C980C26E2C4B19B84302864D011C8E807B0D0F30E80400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,6-dimethoxy-9H-carbazole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,6-dimethoxy-9H-carbazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,6-dimethoxy-9<I>H</I>-carbazole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,6-dimethoxy-9H-carbazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,6-dimethoxy-9H-carbazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,6-dimethoxy-9H-carbazole InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H13NO2/c1-16-9-3-5-13-11(7-9)12-8-10(17-2)4-6-14(12)15-13/h3-8,15H,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YQKMWXHJSIEAEX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 227.094628657 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H13NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 227.26 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC2=C(C=C1)NC3=C2C=C(C=C3)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC2=C(C=C1)NC3=C2C=C(C=C3)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 34.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 227.094628657 17 0 0 0 0 0 0 0 1 -1