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70541-98-9

70541-98-9 structural image
Product Name: 5-CYANO-3,4-DIPHENYLTHIOPHENE-2-CARBOXAMIDE
Formula: C18H12N2OS
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility <0.3 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 304.4 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 304.06703418 g/mol
Monoisotopic Mass 304.06703418 g/mol
Topological Polar Surface Area 95.1 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 445
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