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478246-56-9

478246-56-9 structural image
Product Name: METHYL 4-[4-(CYCLOPROPYLCARBONYL)PIPERAZINO]-3-NITROBENZENECARBOXYLATE
Formula: C16H19N3O5
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >50 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 333.34 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 333.13247072 g/mol
Monoisotopic Mass 333.13247072 g/mol
Topological Polar Surface Area 95.7 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 508
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