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5,7-Dihydroxy-2-Nonylchromen-4-One

PubChem CID: 5378621

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Compound Synonyms NSC684578, 5,7-dihydroxy-2-nonyl-chromen-4-one, 5,7-dihydroxy-2-nonylchromen-4-one, SCHEMBL3838488, CHEMBL2003972, Chrom-5,7-diol-4-one, 2-nonyl-, NSC-684578, NCI60_030392, 5,7-Dihydroxy-2-nonyl-4H-chromen-4-one, 5,7-Dihydroxy-2-nonyl-4H-chromen-4-one #
Topological Polar Surface Area 66.8
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 22.0
Isotope Atom Count 0.0
Molecular Complexity 391.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 5,7-dihydroxy-2-nonylchromen-4-one
Prediction Hob 1.0
Xlogp 4.9
Molecular Formula C18H24O4
Prediction Swissadme 0.0
Inchi Key GNPQWPVJZHHCFA-UHFFFAOYSA-N
Fcsp3 0.5
Logs -3.391
Rotatable Bond Count 8.0
Logd 4.041
Compound Name 5,7-Dihydroxy-2-Nonylchromen-4-One
Prediction Hob Swissadme 0.0
Exact Mass 304.167
Formal Charge 0.0
Monoisotopic Mass 304.167
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 304.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -4.691856836363636
Inchi InChI=1S/C18H24O4/c1-2-3-4-5-6-7-8-9-14-12-16(21)18-15(20)10-13(19)11-17(18)22-14/h10-12,19-20H,2-9H2,1H3
Smiles CCCCCCCCCC1=CC(=O)C2=C(C=C(C=C2O1)O)O
Nring 2.0
Defined Bond Stereocenter Count 0.0