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2,6-Dihydroxyanthraquinone

PubChem CID: 6776

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Compound Synonyms 2,6-Dihydroxyanthraquinone, Anthraflavic acid, 84-60-6, 2,6-dihydroxyanthracene-9,10-dione, Anthraflavin, 9,10-Anthracenedione, 2,6-dihydroxy-, 2,6-Dihydroxyanthra-9,10-quinone, NSC-33531, Az-F, 2,6-dihydroxy-9,10-anthraquinone, 2,6-DIHYDROXY-ANTHRAQUINONE, 2,6-dihydroxy-9,10-anthracenedione, Anthraquinone, 2,6-dihydroxy-, MFCD00001228, Anthraflavine, CCRIS 5593, CHEBI:34250, EINECS 201-544-3, BRN 2054127, CHEMBL298398, W83883330W, 4-08-00-03272 (Beilstein Handbook Reference), 2,6-dihydroxy-9,10-dihydroanthracene-9,10-dione, DIHYDROXYANTHRAQUINONE, 2,6-, Anthraflavic acid, 2,6-Dihydroxyanthracene-9,10-dione, Anthrafravic acid, UNII-W83883330W, ANTHRAFLAVICACID, 9, 2,6-dihydroxy-, 2,6dihydroxyanthraquinone, 2,6-Dihdroxyanthraquinone, Anthraquinone,6-dihydroxy-, Epitope ID:116189, 2,6-dihydroxy anthraquinone, SCHEMBL124974, 2,6-DHAQ, MEGxp0_001868, DTXSID6036546, ACon0_001479, ACon1_000002, 6,10-dihydroxy-2,9-anthraquinone, 9,10-dihydroxy-2,6-anthraquinone, NSC33531, BDBM50101979, s5169, STL556593, 2,6-dihydroxyanthracene-9.10-dione, AKOS001581115, 2,6-Dihydroxyanthra-9,10-quinone #, 9,10-Anthraquinone, 2,6-dihydroxy-, CCG-266870, CS-W006230, FD40589, HY-W006230, Anthraflavic acid, technical grade, 90%, NCGC00168884-01, AS-14436, DA-69671, NCI60_002937, SY049293, A1894, EU-0066601, NS00014394, L10013, BRD-K65281664-001-01-8, Q27115942, 201-544-3
Topological Polar Surface Area 74.6
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 18.0
Isotope Atom Count 0.0
Molecular Complexity 342.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P03372, Q92731, n.a., P22309, Q9HAW8, P35503, P22310, P19224, Q9HAW9, O60656, Q9Y4X1, P54855
Iupac Name 2,6-dihydroxyanthracene-9,10-dione
Prediction Hob 1.0
Target Id NPT108, NPT248, NPT901
Xlogp 2.2
Molecular Formula C14H8O4
Prediction Swissadme 0.0
Inchi Key APAJFZPFBHMFQR-UHFFFAOYSA-N
Fcsp3 0.0
Logs -4.681
Rotatable Bond Count 0.0
Logd 2.631
Compound Name 2,6-Dihydroxyanthraquinone
Prediction Hob Swissadme 0.0
Exact Mass 240.042
Formal Charge 0.0
Monoisotopic Mass 240.042
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 240.21
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.889060133333333
Inchi InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H
Smiles C1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C=C(C=C3)O
Nring 3.0
Defined Bond Stereocenter Count 0.0