531531-42-7
Product Name:
4-[[[(2-CHLORO-5-IODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula:
C15H10ClIN2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 460.7 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 459.91454 g/mol |
| Monoisotopic Mass | 459.91454 g/mol |
| Topological Polar Surface Area | 111 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 472 |
| 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 |