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7-Hydroxynaphtho[3,2-g][1,3]benzodioxole-6,11-dione

PubChem CID: 14479676

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Compound Synonyms CHEMBL520325
Topological Polar Surface Area 72.8
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 20.0
Isotope Atom Count 0.0
Molecular Complexity 448.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 7-hydroxynaphtho[3,2-g][1,3]benzodioxole-6,11-dione
Prediction Hob 1.0
Xlogp 3.3
Molecular Formula C15H8O5
Prediction Swissadme 0.0
Inchi Key KSOSMCYIAOHPFJ-UHFFFAOYSA-N
Fcsp3 0.0666666666666666
Logs -5.609
Rotatable Bond Count 0.0
Logd 2.829
Compound Name 7-Hydroxynaphtho[3,2-g][1,3]benzodioxole-6,11-dione
Prediction Hob Swissadme 0.0
Exact Mass 268.037
Formal Charge 0.0
Monoisotopic Mass 268.037
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 268.22
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -4.0448888
Inchi InChI=1S/C15H8O5/c16-9-3-1-2-7-11(9)13(17)8-4-5-10-15(20-6-19-10)12(8)14(7)18/h1-5,16H,6H2
Smiles C1OC2=C(O1)C3=C(C=C2)C(=O)C4=C(C3=O)C=CC=C4O
Nring 4.0
Defined Bond Stereocenter Count 0.0