701929-58-0
Product Name:
(9-Ethyl-9 H-benzo[4,5]imidazo[2,1-c ][1,2,4]triazol-3-ylsulfanyl)-acetic acid
Formula:
C12H12N4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 276.32 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 276.06809681 g/mol |
| Monoisotopic Mass | 276.06809681 g/mol |
| Topological Polar Surface Area | 97.7 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 357 |
| 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 |