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1009821-06-0

1009821-06-0 structural image
Product Name: Pyrimido[4,5-c]quinoline-8-carboxylic acid, 5-[(3-ethynylphenyl)amino]-
Formula: C20H12N4O2
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COMPUTED DESCRIPTORS

Molecular Weight 340.3 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 340.09602564 g/mol
Monoisotopic Mass 340.09602564 g/mol
Topological Polar Surface Area 88 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 573
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes