672470 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 8 8 8 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 2 2 3 4 5 5 5 6 6 7 8 8 9 9 10 12 13 13 14 15 15 16 16 17 17 18 19 19 19 20 20 20 4 7 12 19 11 10 6 7 10 11 12 8 9 15 11 16 13 14 14 21 22 17 23 18 24 18 25 26 20 27 28 29 30 31 1 1 1 1 2 2 1 2 1 1 2 1 1 2 1 2 1 1 2 1 1 1 1 1 1 2 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 4.3009 2.9176 4.666 3.3073 3.8 3.8 4.666 5.5321 5.5321 2.9061 4.666 2.9061 2 2 6.426 6.426 7.3321 7.3321 2.0574 2.069 1.4643 1.4643 6.4188 6.4188 7.8678 7.8678 1.4482 1.8387 2.689 2.0762 1.449 -2.7246 1.2343 1.1997 -2.7442 -1.3003 -0.3003 -1.8003 -1.3003 -0.3003 -1.835 0.1997 0.2344 -1.3211 -0.2795 -1.835 0.2344 -1.3211 -0.2795 1.7443 2.7442 -1.6332 0.0326 -2.4549 0.8543 -1.6332 0.0326 1.859 1.1642 2.737 3.3642 2.7514 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 4 5 5 5 6 8 8 9 10 12 13 15 16 17 4 7 10 6 7 10 12 9 15 16 13 14 14 17 18 18 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 399 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07A30000000000000000000000000000001600000003060C0000000000058C1F400001E00040000000C0CA19E0232C6F0100400A903A4724200820800242200289821366CDA0C26BE84B59B8239E0E6E01908E9C7FFC8F08E80400140001A00008080068000340000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 10-ethoxy-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 10-ethoxy-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 10-ethoxy-15-oxa-14-azatetracyclo[7.6.1.0<SUP>2,7</SUP>.0<SUP>13,16</SUP>]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 10-ethoxy-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 10-ethoxy-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 10-ethoxy-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H11NO3/c1-2-19-12-8-7-11-13-14(12)15(18)9-5-3-4-6-10(9)16(13)20-17-11/h3-8H,2H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 UAOUQDXIWHQNEH-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 2021.05.07 265.07389321 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H11NO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 265.26 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC1=C2C3=C(C4=CC=CC=C4C2=O)ON=C3C=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC1=C2C3=C(C4=CC=CC=C4C2=O)ON=C3C=C1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 52.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 265.07389321 20 0 0 0 0 0 0 0 1 -1