20431397 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 17 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 3 4 5 5 6 6 6 7 8 8 9 10 10 11 12 13 13 14 15 16 16 17 17 18 18 19 19 20 31 7 8 11 29 9 14 30 7 9 11 13 10 12 12 16 17 15 21 14 22 15 23 18 24 19 25 20 26 20 27 28 1 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 30 31 3.5346 4.0682 2.3199 4.0682 0.5381 3.2022 3.2022 4.9343 4.0682 5.8003 2.3083 4.9343 2.3083 1.4022 1.4022 5.8003 6.6663 6.6663 7.5324 7.5324 5.4712 2.3154 0.8665 5.2634 6.6663 6.6663 8.0693 8.0693 1.7865 0 4.5346 0 4.6448 7.6794 7.6448 4.6206 6.1448 5.1448 5.1448 6.6448 4.6448 6.6794 6.1448 4.6101 5.124 6.1656 3.6448 5.1448 3.1448 4.6448 3.6448 6.4548 3.9902 6.4777 3.3348 5.7648 2.5248 4.9548 3.3348 7.9956 4.9286 0 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 6 6 6 7 8 9 10 10 11 13 14 16 17 18 19 7 8 7 9 11 13 12 12 16 17 15 14 15 18 19 20 20 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 384 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 00000371C0703800040000000000000000000000000000000000306080000000000000814000001A00000800000C048098003006800006008802A05200000208002420000888010608C80C273686351A827960A5E01508B90788ECACCE20000008000800004000001000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 5,7-dihydroxy-2-phenyl-chromen-4-one;hydrochloride IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 5,7-dihydroxy-2-phenyl-1-benzopyran-4-one;hydrochloride IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 5,7-dihydroxy-2-phenylchromen-4-one;hydrochloride IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 5,7-dihydroxy-2-phenylchromen-4-one;hydrochloride IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 5,7-bis(oxidanyl)-2-phenyl-chromen-4-one;hydrochloride IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 5,7-dihydroxy-2-phenyl-chromone;hydrochloride InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H10O4.ClH/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;1H InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XUFDXAVLBOFISD-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 290.0345865 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H11ClO4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 290.70 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O.Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O.Cl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 66.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 290.0345865 20 0 0 0 0 0 0 0 2 -1