5281607 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 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 5 6 7 7 8 9 9 10 11 12 12 13 14 15 15 16 16 17 17 18 18 19 6 7 10 28 8 13 29 6 8 10 12 9 11 11 15 16 14 20 13 21 14 22 17 23 18 24 19 25 19 26 27 1 1 1 1 2 1 1 1 1 2 2 1 2 1 2 1 1 1 1 1 2 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 5.4641 7.2125 5.4641 8.9942 6.3301 6.3301 4.5981 5.4641 3.732 7.2241 4.5981 7.2241 8.1301 8.1301 3.732 2.866 2.866 2 2 4.0611 7.2169 8.6659 4.269 2.866 2.866 1.4631 1.4631 7.7458 9.5323 0.9254 -2.1092 -2.0746 0.9495 -0.5746 0.4254 0.4254 -1.0746 0.9254 -1.1093 -0.5746 0.9601 0.4462 -0.5954 1.9254 0.4254 2.4254 0.9254 1.9254 -0.8846 1.58 -0.9075 2.2354 -0.1946 3.0454 0.6154 2.2354 -2.4254 0.6416 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 5 5 5 6 7 8 9 9 10 12 13 15 16 17 18 6 7 6 8 10 12 11 11 15 16 14 13 14 17 18 19 19 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 384 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 2 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 00000371C0703800000000000000000000000000000000000000306080000000000000814000001A00000800000C048098003006800006008802A05200000208002420000888010608C80C273686351A827960A5E01508B90788ECACCE20000008000800004000001000100000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 5,7-dihydroxy-2-phenyl-chromen-4-one IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 5,7-dihydroxy-2-phenyl-1-benzopyran-4-one IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 5,7-dihydroxy-2-phenylchromen-4-one IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 5,7-bis(oxidanyl)-2-phenyl-chromen-4-one IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 5,7-dihydroxy-2-phenyl-chromone InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 RTIXKCRFFJGDFG-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 2.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 254.057909 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C15H10O4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 254.2375 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 66.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 254.057909 19 0 0 0 0 0 0 0 1 12