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313498-12-3

313498-12-3 structural image
Product Name: 1-BENZYL-2,3-DIMETHYL-1H-INDOLE-5-CARBOXYLIC ACID
Formula: C18H17NO2
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >41.9 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 279.3 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 279.125928785 g/mol
Monoisotopic Mass 279.125928785 g/mol
Topological Polar Surface Area 42.2 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 377
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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