531540-52-0
Product Name:
2-[[[(2-BROMO-5-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
Formula:
C15H8BrI2N3O5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 676.0 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 674.74575 g/mol |
| Monoisotopic Mass | 674.74575 g/mol |
| Topological Polar Surface Area | 156 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 623 |
| 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 |