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(3E)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one

PubChem CID: 5783568

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Compound Synonyms (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one, 3-[(E)-3,4-Dimethoxybenzylidene]-7-methoxy-2,3-dihydro-4H-1-benzopyran-4-one, CHEMBL597065, SCHEMBL25035400, CHEBI:92058
Topological Polar Surface Area 54.0
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 24.0
Isotope Atom Count 0.0
Molecular Complexity 474.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a.
Iupac Name (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one
Prediction Hob 1.0
Xlogp 3.2
Molecular Formula C19H18O5
Prediction Swissadme 0.0
Inchi Key YKRAQIAZPKGEIC-MDWZMJQESA-N
Fcsp3 0.2105263157894736
Logs -5.369
Rotatable Bond Count 4.0
Logd 3.318
Compound Name (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one
Prediction Hob Swissadme 0.0
Exact Mass 326.115
Formal Charge 0.0
Monoisotopic Mass 326.115
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 326.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -4.0168576
Inchi InChI=1S/C19H18O5/c1-21-14-5-6-15-17(10-14)24-11-13(19(15)20)8-12-4-7-16(22-2)18(9-12)23-3/h4-10H,11H2,1-3H3/b13-8+
Smiles COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC(=C(C=C3)OC)OC)/CO2
Nring 3.0
Defined Bond Stereocenter Count 1.0