306730-18-7
Product Name:
4-(4-BROMOPHENYL)-2-[(4-CHLOROBENZYL)SULFANYL]-4-OXOBUTANOIC ACID
Formula:
C17H14BrClO3S
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COMPUTED DESCRIPTORS
Molecular Weight | 413.7 g/mol |
---|---|
XLogP3 | 4.6 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 7 |
Exact Mass | 411.95356 g/mol |
Monoisotopic Mass | 411.95356 g/mol |
Topological Polar Surface Area | 79.7 Ų |
Heavy Atom Count | 23 |
Formal Charge | 0 |
Complexity | 405 |
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 |