306936-85-6
Product Name:
4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-5-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Formula:
C11H11N3O2S
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COMPUTED DESCRIPTORS
Molecular Weight | 249.29 g/mol |
---|---|
XLogP3 | 1.3 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 1 |
Exact Mass | 249.05719778 g/mol |
Monoisotopic Mass | 249.05719778 g/mol |
Topological Polar Surface Area | 78.2 Ų |
Heavy Atom Count | 17 |
Formal Charge | 0 |
Complexity | 361 |
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 |