46232107 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 9 8 8 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 2 2 3 4 4 4 5 5 6 7 7 8 9 9 10 10 11 12 12 13 14 14 15 15 16 16 17 18 19 19 20 20 21 21 22 18 6 9 8 5 6 8 7 12 10 11 14 13 13 15 11 23 24 16 25 26 17 27 18 19 17 28 29 20 21 30 22 31 22 32 33 1 1 1 2 1 2 1 1 2 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 2 2 1 1 2 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 26 27 28 29 30 31 32 33 4.6038 5.5022 5.5138 6.3961 7.2622 6.3961 8.1282 5.5022 4.5961 7.2622 8.1282 7.2461 4.5961 9.0382 3.732 8.1441 9.0462 3.7359 2.8641 2.8718 2 2.0038 7.2622 8.6651 6.7056 4.0604 9.5715 8.1418 9.5844 2.8617 2.8742 1.4619 1.4681 -2.5417 -1.0556 2.0137 0.4791 0.9791 -0.5209 0.4791 1.0138 -0.5417 -1.0209 -0.5209 2.0206 0.4999 0.986 -1.045 2.5484 2.0276 -2.045 -0.5484 -2.5484 -1.0517 -2.0517 -1.6409 -0.8309 2.3244 0.812 0.6698 3.1684 2.3355 0.0716 -3.1684 -0.7438 -2.3638 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 4 4 4 5 5 6 7 7 8 9 10 12 14 15 15 16 18 19 20 21 6 9 5 6 8 7 12 10 11 14 13 13 11 16 17 18 19 17 20 21 22 22 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 472 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07831000000000000000000000000000000000000003060C1000000000000C15400001B00000000000C048098083006C00004008802A05200000208002420000888010608C80C263684351A823960A4E01108A90788C8F08EA0000300001800004000060000300000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-fluorophenyl)benzo[f]chromen-1-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-fluorophenyl)-1-benzo[f][1]benzopyranone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-fluorophenyl)benzo[f]chromen-1-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-fluorophenyl)benzo[f]chromen-1-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-fluorophenyl)benzo[f]chromen-1-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-fluorophenyl)benzo[f]chromen-1-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H11FO2/c20-15-8-4-3-7-14(15)18-11-16(21)19-13-6-2-1-5-12(13)9-10-17(19)22-18/h1-11H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ZWMCNYORTGSOLV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 290.07430775 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H11FO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 290.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C=CC3=C2C(=O)C=C(O3)C4=CC=CC=C4F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C=CC3=C2C(=O)C=C(O3)C4=CC=CC=C4F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 26.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 290.07430775 22 0 0 0 0 0 0 0 1 -1