861644-96-4
Product Name:
2-[(E)-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carbonyl]hydrazinylidene]methyl]-4-chlorophenolate
Formula:
C16H14ClN11O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 475.9 g/mol |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 7 |
| Exact Mass | 475.0690322 g/mol |
| Monoisotopic Mass | 475.0690322 g/mol |
| Topological Polar Surface Area | 213 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 681 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |