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1-(2-Hydroxy-4,7-dimethoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol

PubChem CID: 11533293

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Compound Synonyms CHEMBL497448
Topological Polar Surface Area 88.4
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 37.0
Isotope Atom Count 0.0
Molecular Complexity 777.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol
Prediction Hob 0.0
Xlogp 7.4
Molecular Formula C31H24O6
Prediction Swissadme 0.0
Inchi Key RAUMZOBPMPBWRG-UHFFFAOYSA-N
Fcsp3 0.0967741935483871
Logs -7.972
Rotatable Bond Count 4.0
Logd 3.964
Compound Name 1-(2-Hydroxy-4,7-dimethoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol
Prediction Hob Swissadme 0.0
Exact Mass 492.157
Formal Charge 0.0
Monoisotopic Mass 492.157
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 492.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -7.8516674
Inchi InChI=1S/C31H24O6/c1-35-19-7-11-21-17(13-19)5-9-23-29(21)27(37-3)15-25(34)31(23)30-22-8-4-16-12-18(32)6-10-20(16)28(22)26(36-2)14-24(30)33/h4-15,32-34H,1-3H3
Smiles COC1=CC2=C(C=C1)C3=C(C=C(C(=C3C=C2)C4=C5C=CC6=C(C5=C(C=C4O)OC)C=CC(=C6)O)O)OC
Nring 6.0
Defined Bond Stereocenter Count 0.0