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672951-91-6

672951-91-6 structural image
Product Name: 4,6-DIAMINO-2-[(4-METHOXYPHENOXY)METHYL]-2,3-DIHYDROFURO[2,3-B]PYRIDINE-5-CARBONITRILE
Formula: C16H16N4O3
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COMPUTED DESCRIPTORS

Molecular Weight 312.32 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 4
Exact Mass 312.12224039 g/mol
Monoisotopic Mass 312.12224039 g/mol
Topological Polar Surface Area 116 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 446
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