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935279-95-1

935279-95-1 structural image
Product Name: 3A,4,5,9B-TETRAHYDRO-3H-CYCLOPENTA[C]QUINOLINE-4,8-DICARBOXYLIC ACID 4-ETHYL ESTER
Formula: C16H17NO4
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >43.1 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 287.31 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 287.11575802 g/mol
Monoisotopic Mass 287.11575802 g/mol
Topological Polar Surface Area 75.6 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 461
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes