531540-77-9
Product Name:
2-[[[[3-(4-CHLOROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
Formula:
C17H11ClI2N2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 612.6 g/mol |
|---|---|
| XLogP3 | 5.4 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 611.82684 g/mol |
| Monoisotopic Mass | 611.82684 g/mol |
| Topological Polar Surface Area | 111 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 570 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |