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117976-94-0

117976-94-0 structural image
Product Name: 1-Propanol, 3-[[2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-3-methyl-4-pyridinyl]oxy]-
Formula: C17H19N3O3S
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COMPUTED DESCRIPTORS

Molecular Weight 345.4 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 345.11471265 g/mol
Monoisotopic Mass 345.11471265 g/mol
Topological Polar Surface Area 107 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 426
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