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478032-96-1

478032-96-1 structural image
Product Name: N-(1-BENZYL-3-CYANO-4,5-DIMETHYL-1H-PYRROL-2-YL)-3-CHLOROBENZENECARBOXAMIDE
Formula: C21H18ClN3O
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COMPUTED DESCRIPTORS

Molecular Weight 363.8 g/mol
XLogP3 5.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 363.1138399 g/mol
Monoisotopic Mass 363.1138399 g/mol
Topological Polar Surface Area 57.8 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 539
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