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5835-68-7

5835-68-7 structural image
Product Name: PTH-HISTIDINE
Formula: C13H12N4OS
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 37.4 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 272.33 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 272.07318219 g/mol
Monoisotopic Mass 272.07318219 g/mol
Topological Polar Surface Area 93.1 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 370
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes