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Khrinone A

PubChem CID: 44613666

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Compound Synonyms khrinone A, CHEMBL1080370, 1201493-77-7, 3-(2,5-dihydroxy-4-methoxyphenyl)-7-hydroxychromen-4-one
Topological Polar Surface Area 96.2
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 22.0
Isotope Atom Count 0.0
Molecular Complexity 462.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 3-(2,5-dihydroxy-4-methoxyphenyl)-7-hydroxychromen-4-one
Prediction Hob 1.0
Xlogp 2.1
Molecular Formula C16H12O6
Prediction Swissadme 0.0
Inchi Key MPBPGCHGTKVWMR-UHFFFAOYSA-N
Fcsp3 0.0625
Logs -3.529
Rotatable Bond Count 2.0
Logd 2.548
Compound Name Khrinone A
Prediction Hob Swissadme 0.0
Exact Mass 300.063
Formal Charge 0.0
Monoisotopic Mass 300.063
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 300.26
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -2.9268310181818182
Inchi InChI=1S/C16H12O6/c1-21-15-6-12(18)10(5-13(15)19)11-7-22-14-4-8(17)2-3-9(14)16(11)20/h2-7,17-19H,1H3
Smiles COC1=C(C=C(C(=C1)O)C2=COC3=C(C2=O)C=CC(=C3)O)O
Nring 3.0
Defined Bond Stereocenter Count 0.0