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1242994-98-4

1242994-98-4 structural image
Product Name: Ethyl 3-amino-4-[(2-{[(ethylamino)carbonyl]-amino}ethyl)amino]benzoate
Formula: C14H22N4O3
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COMPUTED DESCRIPTORS

Molecular Weight 294.35 g/mol
XLogP3 1
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 8
Exact Mass 294.16919058 g/mol
Monoisotopic Mass 294.16919058 g/mol
Topological Polar Surface Area 106 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 338
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