22469 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 8 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 2 3 4 4 5 5 5 5 6 6 7 7 8 8 9 10 10 11 11 12 13 13 14 14 15 16 16 17 18 19 19 19 20 21 21 21 4 20 18 20 12 18 6 8 22 23 7 10 9 11 9 13 14 12 24 15 25 15 16 26 17 27 28 17 29 30 19 31 32 33 21 34 35 36 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 2 2 2 1 2 1 1 1 1 1 1 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 8.3374 8.3987 9.9867 8.0321 4.5274 5.3364 5.0274 3.7183 4.0274 6.3518 5.7123 7.0547 2.7029 3.3424 6.7328 2 2.3219 8.704 9.6814 9.3148 9.6201 4.9422 4.1125 6.5365 5.5139 2.5182 3.5408 7.1459 1.394 1.9088 9.8126 10.2873 9.5502 10.2105 9.8094 9.0297 0.7406 -1.9045 0.2117 -0.2117 0.7009 0.1131 -0.838 0.1131 -0.838 0.3453 -1.6227 -0.4234 0.3453 -1.6227 -1.414 -0.4234 -1.414 -0.9522 -0.7406 0.9522 1.9045 1.1616 1.1616 0.9372 -2.2101 0.9372 -2.2101 -1.8764 -0.2921 -1.8764 -1.3465 -0.6093 -0.1346 1.7152 2.4949 2.0938 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 8 8 9 10 11 12 13 14 16 7 10 11 9 13 14 12 15 15 16 17 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 422 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07A3000000000000000000000000000000180000000306000000000000060014000001E00040000000C0881980032C882100000880225D25800820000210200288800006488082022C09191842008608400C8C8071080C00E88000040001000001000008000200001000008000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [acetyl(9H-fluoren-2-yl)amino] acetate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 acetic acid [acetyl(9H-fluoren-2-yl)amino] ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [acetyl(9<I>H</I>-fluoren-2-yl)amino] acetate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [acetyl(9H-fluoren-2-yl)amino] acetate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [ethanoyl(9H-fluoren-2-yl)amino] ethanoate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 acetic acid [acetyl(9H-fluoren-2-yl)amino] ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C17H15NO3/c1-11(19)18(21-12(2)20)15-7-8-17-14(10-15)9-13-5-3-4-6-16(13)17/h3-8,10H,9H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NFOMHWALMFWNAQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 281.10519334 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C17H15NO3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 281.30 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)N(C1=CC2=C(C=C1)C3=CC=CC=C3C2)OC(=O)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)N(C1=CC2=C(C=C1)C3=CC=CC=C3C2)OC(=O)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 46.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 281.10519334 21 0 0 0 0 0 0 0 1 1