13229-02-2
Product Name:
4-AMINO-3-MERCAPTO-5-(2-CHLOROPHENYL)-[1,2,4-]TRIAZOLE
Formula:
C8H7ClN4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 226.69 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 226.0079951 g/mol |
| Monoisotopic Mass | 226.0079951 g/mol |
| Topological Polar Surface Area | 85.7 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 281 |
| 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 |