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18378-69-3

18378-69-3 structural image
Product Name: (4-ALLYL-5-PYRIDIN-4-YL-4 H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETIC ACID
Formula: C12H12N4O2S
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COMPUTED DESCRIPTORS

Molecular Weight 276.32 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 276.06809681 g/mol
Monoisotopic Mass 276.06809681 g/mol
Topological Polar Surface Area 106 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 323
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