5280961 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 8 8 8 8 8 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 5 5 6 6 6 7 7 7 8 10 10 11 12 13 13 14 14 16 16 17 17 18 18 19 19 8 12 11 28 9 15 29 20 30 8 9 11 9 10 12 13 16 17 14 21 15 22 15 23 18 24 19 25 20 26 20 27 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 2 2 1 1 1 1 1 2 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 23 24 25 26 27 28 29 30 6.8671 8.6155 6.8671 10.3972 2.5369 7.7331 6.001 7.7331 6.8671 5.135 8.627 6.001 8.627 9.5331 9.5331 4.269 5.135 3.403 4.269 3.403 5.4641 8.6199 10.0688 4.269 5.672 2.866 4.269 9.1488 10.3948 2 1.4279 -1.6067 -1.5721 1.4521 -2.0721 -0.0721 -0.0721 0.9279 -0.5721 -0.5721 -0.6067 0.9279 1.4626 -0.0929 0.9487 -0.0721 -1.5721 -0.5721 -2.0721 -1.5721 1.2379 2.0826 -0.405 0.5479 -1.8821 -0.2621 -2.6921 -1.9229 2.0721 -1.7621 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 6 6 6 7 7 8 10 10 11 13 14 16 17 18 19 8 12 8 9 11 9 12 13 16 17 14 15 15 18 19 20 20 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 411 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0703800000000000000000000000000000000000000306080000000000000814000001A00000800000C04A098023006800006008802A05200000208002420000888010608C80C273686351A80716025E01508B98788ECFCCE20000008000800004000001000100000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 5,7-dihydroxy-3-(4-hydroxyphenyl)-1-benzopyran-4-one IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 3-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 5,7-dihydroxy-3-(4-hydroxyphenyl)chromone InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 TZBJGXHYKVUXJN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 2.7 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 270.052823 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C15H10O5 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 270.2369 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 87 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 270.052823 20 0 0 0 0 0 0 0 1 24