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1042701-72-3

1042701-72-3 structural image
Product Name: 4-(4-BROMOPHENYL)-4-OXO-2-[(3-PYRIDINYLMETHYL)AMINO]BUTANOIC ACID
Formula: C16H15BrN2O3
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COMPUTED DESCRIPTORS

Molecular Weight 363.21 g/mol
XLogP3 -0.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 362.02660 g/mol
Monoisotopic Mass 362.02660 g/mol
Topological Polar Surface Area 79.3 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 384
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