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338405-91-7

338405-91-7 structural image
Product Name: N-(3-CHLORO-2-METHYLPHENYL)-6-(1H-IMIDAZOL-1-YL)NICOTINAMIDE
Formula: C16H13ClN4O
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COMPUTED DESCRIPTORS

Molecular Weight 312.75 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 312.0777887 g/mol
Monoisotopic Mass 312.0777887 g/mol
Topological Polar Surface Area 59.8 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 394
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