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96735-00-1

96735-00-1 structural image
Product Name: 3-(2-AMINO-ETHYL)-5-NITRO-1 H-INDOLE-2-CARBOXYLIC ACID
Formula: C11H11N3O4
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 35.4 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 249.22 g/mol
XLogP3 -1.2
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 249.07495584 g/mol
Monoisotopic Mass 249.07495584 g/mol
Topological Polar Surface Area 125 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 344
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

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