531534-43-7
Product Name:
5-IODO-2-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula:
C22H17IN2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 532.4 g/mol |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 531.99538 g/mol |
| Monoisotopic Mass | 531.99538 g/mol |
| Topological Polar Surface Area | 120 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 614 |
| 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 |