531540-54-2
Product Name:
5-IODO-2-[[[(PHENOXYACETYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula:
C16H13IN2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 456.3 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 455.96408 g/mol |
| Monoisotopic Mass | 455.96408 g/mol |
| Topological Polar Surface Area | 120 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 471 |
| 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 |