252027-06-8
Product Name:
2-([2-(4-BROMOANILINO)-1-(4-CHLOROPHENYL)-2-OXOETHYL]SULFANYL)ACETIC ACID
Formula:
C16H13BrClNO3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 414.7 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 412.94880 g/mol |
| Monoisotopic Mass | 412.94880 g/mol |
| Topological Polar Surface Area | 91.7 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 410 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |