536986-10-4
Product Name:
4-CHLORO-3-[[[[(2-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula:
C16H12ClN3O6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 409.8 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 409.0135340 g/mol |
| Monoisotopic Mass | 409.0135340 g/mol |
| Topological Polar Surface Area | 166 Ų |
| Heavy Atom Count | 27 |
| 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 |