10241 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 8 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 5 5 7 7 8 8 9 9 10 10 11 11 12 12 13 14 6 3 4 7 5 8 6 9 6 10 11 15 12 16 13 17 14 18 13 19 14 20 21 22 2 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 1 2 1 2 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 4.5274 5.0274 4.0274 5.3364 3.7183 4.5274 5.7123 3.3424 6.3518 2.7029 6.7328 2.3219 7.0547 2 5.5139 3.5408 6.5365 2.5182 7.1459 1.9088 7.6607 1.394 1.6618 -0.8771 -0.8771 0.074 0.074 0.6618 -1.6618 -1.6618 0.3063 0.3063 -1.4531 -1.4531 -0.4624 -0.4624 -2.2492 -2.2492 0.8981 0.8981 -1.9154 -1.9154 -0.3312 -0.3312 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 4 5 7 8 9 10 11 12 4 7 5 8 9 10 11 12 13 14 13 14 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 222 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 00000371C0702000000000000000000000000000000180000000306000000000000060014000001A00000000000C048098003000800000008802A05200000200002400000888010000C80820328015108021002080000889870888C08E80000000001000000000000000200001000008000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 fluoren-9-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 9-fluorenone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 fluoren-9-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 fluoren-9-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 fluoren-9-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 fluoren-9-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YLQWCDOCJODRMT-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 180.057514874 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C13H8O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 180.20 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C3=CC=CC=C3C2=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C3=CC=CC=C3C2=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 17.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 180.057514874 14 0 0 0 0 0 0 0 1 -1