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306980-05-2

306980-05-2 structural image
Product Name: 5-ACETYL-2-[(4-CHLOROBENZYL)AMINO]-6-METHYLNICOTINONITRILE
Formula: C16H14ClN3O
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COMPUTED DESCRIPTORS

Molecular Weight 299.75 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 299.0825398 g/mol
Monoisotopic Mass 299.0825398 g/mol
Topological Polar Surface Area 65.8 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 411
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