2361 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 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 1 1 2 3 3 3 4 4 5 6 6 7 8 8 9 9 10 11 11 12 13 13 14 14 15 15 16 17 17 18 18 19 19 20 20 21 5 8 7 4 5 7 6 11 9 10 13 12 12 14 10 22 23 15 24 25 16 26 17 18 16 27 28 19 29 20 30 21 31 21 32 33 1 1 2 1 2 1 1 2 1 1 2 1 2 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 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 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 4.274 2.8617 2.8742 1.4619 1.4681 -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 -2.353 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 1 1 3 3 3 4 4 5 6 6 7 8 9 11 13 14 14 15 17 18 19 20 5 8 4 5 7 6 11 9 10 13 12 12 10 15 16 17 18 16 19 20 21 21 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 433 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07830000000000000000000000000000000000000003060C1000000000000C15400001A00000000000C048098003006C00004008802A05200000208002420000888010608C80C263684351A823960A4E01108A90788C8F08EA0000300001800004000060000300000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-phenylbenzo[f]chromen-1-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-phenyl-1-benzo[f][1]benzopyranone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-phenylbenzo[f]chromen-1-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-phenylbenzo[f]chromen-1-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-phenylbenzo[f]chromen-1-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-phenylbenzo[f]chromen-1-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H12O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-12H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OUGIDAPQYNCXRA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 272.083729621 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H12O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 272.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC4=CC=CC=C43 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC4=CC=CC=C43 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 2021.10.14 272.083729621 21 0 0 0 0 0 0 0 1 -1