18378-69-3
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 |