56642899 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 7 6 6 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 2 2 3 4 4 4 5 5 6 6 7 7 7 8 9 9 10 11 11 12 12 13 13 14 14 15 15 15 16 16 17 18 18 19 20 21 21 21 23 23 24 24 25 26 27 25 43 26 44 22 8 10 15 6 20 22 39 8 9 11 12 10 13 14 16 28 17 29 18 30 19 31 32 33 34 17 20 35 19 36 37 38 22 23 24 26 40 25 41 27 27 42 1 1 1 1 2 1 1 1 1 2 1 1 2 1 1 1 1 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 2 1 5 -1 6 20 16 38 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 13.3136 10.7304 10.3359 4.5274 8.378 9.0443 5.0274 5.3364 4.0274 3.7183 5.7123 6.3518 3.3424 2.7029 4.5274 6.7328 7.0547 2.3219 2 7.3991 10.6895 10.0232 10.3768 11.6684 12.3347 11.0431 12.022 5.5139 6.5365 3.5408 2.5182 5.1474 4.5274 3.9074 7.6607 1.9088 1.394 7.2052 8.8504 9.7699 11.8623 12.4351 13.7267 11.1435 -1.2554 -3.5634 0.7776 3.0258 0.3693 -0.3764 1.4869 2.438 1.4869 2.438 0.7022 2.6702 0.7022 2.6702 4.0258 0.9109 1.9015 0.9109 1.9015 0.1652 -0.918 -0.1723 -1.8678 -0.7138 -1.4596 -2.6136 -2.4094 0.1148 3.2621 0.1148 3.2621 4.0258 4.6458 4.0258 2.0328 0.4485 2.0328 -0.4237 -0.9653 -1.9944 -0.1249 -2.8718 -1.7178 -4.0258 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 7 7 7 8 9 9 10 11 12 13 14 16 18 21 21 23 24 25 26 8 10 8 9 11 12 10 13 14 16 17 18 19 17 19 23 24 26 25 27 27 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 559 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 3 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 00000371E07B30000000000000000000000000000001600000003060C000000000005801FC00001E00180800000C0CC19E0432C6F36E1200A803357354009280202522201AD8213E6CD80827F2C2959384710865C815C8D987BAE8D48E88000308000200001000061000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,5-dihydroxy-N-[(E)-(9-methylcarbazol-3-yl)methyleneamino]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,5-dihydroxy-N-[(E)-(9-methyl-3-carbazolyl)methylideneamino]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,5-dihydroxy-<I>N</I>-[(<I>E</I>)-(9-methylcarbazol-3-yl)methylideneamino]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,5-dihydroxy-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-3,5-bis(oxidanyl)benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,5-dihydroxy-N-[(E)-(9-methylcarbazol-3-yl)methyleneamino]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H17N3O3/c1-24-19-5-3-2-4-17(19)18-8-13(6-7-20(18)24)12-22-23-21(27)14-9-15(25)11-16(26)10-14/h2-12,25-26H,1H3,(H,23,27)/b22-12+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 NWKHKACZHWUEOR-WSDLNYQXSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 359.12699141 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H17N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 359.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C2=C(C=C(C=C2)C=NNC(=O)C3=CC(=CC(=C3)O)O)C4=CC=CC=C41 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C2=C(C=C(C=C2)/C=N/NC(=O)C3=CC(=CC(=C3)O)O)C4=CC=CC=C41 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 86.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 359.12699141 27 0 0 0 1 1 0 0 1 -1