11831 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 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 -1 3 1 1 2 3 4 4 4 4 5 5 6 6 7 7 8 9 9 10 10 11 11 12 12 13 14 15 15 16 3 3 13 5 7 17 18 6 9 8 10 8 11 12 13 19 14 20 15 21 16 22 14 23 16 24 25 1 2 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 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 8.704 8.3374 8.0321 4.5274 5.3364 5.0274 3.7183 4.0274 6.3518 5.7123 2.7029 3.3424 7.0547 6.7328 2 2.3219 4.9422 4.1125 6.5365 5.5139 2.5182 3.5408 7.1459 1.394 1.9088 -0.5112 1.1816 0.2294 1.1419 0.5542 -0.3969 0.5542 -0.3969 0.7864 -1.1816 0.7864 -1.1816 0.0177 -0.9729 0.0177 -0.9729 1.6027 1.6027 1.3782 -1.769 1.3782 -1.769 -1.4353 0.149 -1.4353 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 7 7 8 9 10 11 12 13 15 6 9 10 8 11 12 13 14 15 16 14 16 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 286 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0723000000000000000000000000000000180000000306000000000000060014000001C00040000000C0881180030C08010400081022442430082000020020028880000648A08202280919180200060800008C8071080C00E88000040001000001000008000200001000008000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-nitro-9H-fluorene IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-nitro-9H-fluorene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-nitro-9<I>H</I>-fluorene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-nitro-9H-fluorene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-nitro-9H-fluorene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-nitro-9H-fluorene InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C13H9NO2/c15-14(16)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XFOHWECQTFIEIX-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 211.063328530 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C13H9NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 211.22 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C2=CC=CC=C2C3=C1C=C(C=C3)[N+](=O)[O-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C2=CC=CC=C2C3=C1C=C(C=C3)[N+](=O)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 45.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 211.063328530 16 0 0 0 0 0 0 0 1 -1