956576-81-1
Product Name:
4-Allyl-5-[1-(2,5-dichlorophenoxy)ethyl]-4H-1,2,4-triazole-3-thiol
Formula:
C13H13Cl2N3OS
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COMPUTED DESCRIPTORS
Molecular Weight | 330.2 g/mol |
---|---|
XLogP3 | 4 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 5 |
Exact Mass | 329.0156386 g/mol |
Monoisotopic Mass | 329.0156386 g/mol |
Topological Polar Surface Area | 69 Ų |
Heavy Atom Count | 20 |
Formal Charge | 0 |
Complexity | 418 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |