532953-52-9
Product Name:
2-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
Formula:
C21H22I2N2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 652.3 g/mol |
|---|---|
| XLogP3 | 6.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 651.93897 g/mol |
| Monoisotopic Mass | 651.93897 g/mol |
| Topological Polar Surface Area | 120 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 587 |
| 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 |