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428446-66-6

428446-66-6 structural image
Product Name: N-(3-iodobenzoyl)-N'-(4-methyl-2-pyridinyl)thiourea
Formula: C14H12IN3OS
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COMPUTED DESCRIPTORS

Molecular Weight 397.24 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 396.97458 g/mol
Monoisotopic Mass 396.97458 g/mol
Topological Polar Surface Area 86.1 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 366
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