22095 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 34 35 36 37 38 8 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 1 1 1 1 2 2 3 4 4 4 4 5 5 5 6 6 6 7 7 8 8 8 9 10 10 11 11 12 12 13 15 15 16 16 17 18 19 19 20 20 21 21 22 14 18 14 36 13 5 7 10 23 6 24 25 8 26 27 9 11 9 28 29 12 13 14 15 30 17 31 16 17 32 18 19 33 20 21 34 22 35 22 37 38 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 2 1 1 4 5 7 10 23 3 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 34 35 36 37 38 4.666 6.3981 4.666 6.3981 6.3981 7.2641 7.2641 8.1301 8.1301 5.5321 7.248 9.0401 4.666 5.5321 8.1461 3.8 9.0482 3.8 2.9061 2.9061 2 2 5.8612 6.186 5.7875 7.6626 6.8656 8.7407 8.3422 6.7076 9.5734 8.1437 9.5863 2.9132 2.9132 6.3981 1.4643 1.4643 -1.44 -1.44 1.56 0.56 1.56 2.06 0.06 1.56 0.56 0.06 -0.9815 0.0532 0.56 -0.94 -1.5093 0.06 -0.9884 -0.94 0.5947 -1.4747 0.0808 -0.9608 0.87 2.1426 1.4523 2.5349 2.5349 1.4523 2.1426 -1.2853 0.3693 -2.1293 -1.2964 1.2146 -2.0946 -2.06 0.3929 -1.2729 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 4 7 7 9 10 10 11 12 13 15 16 16 18 19 20 21 14 18 10 9 11 12 13 14 15 17 16 17 18 19 20 21 22 22 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 481 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07830000000000000000000000000000000000000003060C1000000000000C14000001A00000800000D04809800300E800006008802A05200000208002420000888010608C81C263684351A80316024E0110CA98788C8F08E80000000001800000000040000300000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxy-3-tetralin-1-yl-chromen-4-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzopyran-4-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-4-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-4-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-oxidanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-4-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxy-3-tetralin-1-yl-chromone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H16O3/c20-18-15-9-3-4-11-16(15)22-19(21)17(18)14-10-5-7-12-6-1-2-8-13(12)14/h1-4,6,8-9,11,14,21H,5,7,10H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KIGBUEKEZHTCDR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 292.109944368 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H16O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 292.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CC(C2=CC=CC=C2C1)C3=C(OC4=CC=CC=C4C3=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CC(C2=CC=CC=C2C1)C3=C(OC4=CC=CC=C4C3=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 46.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 292.109944368 22 1 0 1 0 0 0 0 1 -1