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32425-62-0

32425-62-0 structural image
Product Name: 4-[5-[3-carboxy-5-hydroxy-1-(4-sulphophenyl)-1H-pyrazol-4-yl]penta-2,4-dienylidene]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid
Formula: C25H18N4O12S2
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COMPUTED DESCRIPTORS

Molecular Weight 630.6 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 9
Exact Mass 630.03626437 g/mol
Monoisotopic Mass 630.03626437 g/mol
Topological Polar Surface Area 265 Ų
Heavy Atom Count 43
Formal Charge 0
Complexity 1570
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 3
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes