46232174 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 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 2 3 3 4 5 5 5 6 6 7 8 8 9 10 10 11 11 12 13 14 14 15 15 16 16 17 17 18 19 20 21 21 22 22 23 19 20 7 10 9 6 7 9 8 14 11 12 16 13 13 15 12 24 25 26 17 27 19 20 18 28 18 29 30 21 22 23 31 23 32 33 1 1 1 1 2 1 2 1 1 2 1 1 2 1 2 1 2 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 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 2.8602 4.6038 5.5022 5.5138 6.3961 7.2622 6.3961 8.1282 5.5022 4.5961 7.2622 8.1282 4.5961 7.2461 3.732 9.0382 8.1441 9.0462 2.8641 3.7359 2 2.8718 2.0038 7.2622 8.6651 4.0604 6.7056 9.5715 8.1418 9.5844 1.4619 2.8742 1.4681 0.4516 -2.5417 -1.0556 2.0137 0.4791 0.9791 -0.5209 0.4791 1.0138 -0.5417 -1.0209 -0.5209 0.4999 2.0206 -1.045 0.986 2.5484 2.0276 -0.5484 -2.045 -1.0517 -2.5484 -2.0517 -1.6409 -0.8309 0.812 2.3244 0.6698 3.1684 2.3355 -0.7438 -3.1684 -2.3638 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 5 5 5 6 6 7 8 8 9 10 11 14 15 15 16 17 19 20 21 22 7 10 6 7 9 8 14 11 12 16 13 13 12 17 19 20 18 18 21 22 23 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 494 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07831800000000000000000000000000000000000003060C1000000000000C15400001B00000000000C048098083006C00004008802A05200000208002420000888010608C80C263684351A823960A4E01108A90788C8F08EA0000300001800004000060000300000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2,6-difluorophenyl)benzo[f]chromen-1-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2,6-difluorophenyl)-1-benzo[f][1]benzopyranone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2,6-difluorophenyl)benzo[f]chromen-1-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2,6-difluorophenyl)benzo[f]chromen-1-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[2,6-bis(fluoranyl)phenyl]benzo[f]chromen-1-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2,6-difluorophenyl)benzo[f]chromen-1-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H10F2O2/c20-13-6-3-7-14(21)19(13)17-10-15(22)18-12-5-2-1-4-11(12)8-9-16(18)23-17/h1-10H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OVPIPDBAWBHXGR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 308.06488588 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H10F2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 308.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C=CC3=C2C(=O)C=C(O3)C4=C(C=CC=C4F)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C=CC3=C2C(=O)C=C(O3)C4=C(C=CC=C4F)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 26.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 308.06488588 23 0 0 0 0 0 0 0 1 -1