586391-25-5
Product Name:
3,5-DIIODO-2-[[[(1-OXOPENTYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula:
C13H14I2N2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 532.14 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 531.88146 g/mol |
| Monoisotopic Mass | 531.88146 g/mol |
| Topological Polar Surface Area | 111 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 409 |
| 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 |