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Khrinone B

PubChem CID: 44613667

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Compound Synonyms khrinone B, CHEMBL1080371, 1201493-79-9, 3-(2,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxychromen-4-one, 3-(2,5-Dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
Topological Polar Surface Area 116.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 23.0
Isotope Atom Count 0.0
Molecular Complexity 491.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 3-(2,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxychromen-4-one
Prediction Hob 0.0
Xlogp 2.3
Molecular Formula C16H12O7
Prediction Swissadme 0.0
Inchi Key HSMWTKNHVZRTCO-UHFFFAOYSA-N
Fcsp3 0.0625
Logs -3.492
Rotatable Bond Count 2.0
Logd 2.456
Compound Name Khrinone B
Prediction Hob Swissadme 0.0
Exact Mass 316.058
Formal Charge 0.0
Monoisotopic Mass 316.058
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 316.26
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.122325608695652
Inchi InChI=1S/C16H12O7/c1-22-13-5-10(18)8(4-11(13)19)9-6-23-14-3-7(17)2-12(20)15(14)16(9)21/h2-6,17-20H,1H3
Smiles COC1=C(C=C(C(=C1)O)C2=COC3=CC(=CC(=C3C2=O)O)O)O
Nring 3.0
Defined Bond Stereocenter Count 0.0