535955-61-4
Product Name:
3,5-DIIODO-2-[[[(4-METHYL-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula:
C16H11I2N3O5S
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COMPUTED DESCRIPTORS
Molecular Weight | 611.2 g/mol |
---|---|
XLogP3 | 4.5 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 3 |
Exact Mass | 610.85089 g/mol |
Monoisotopic Mass | 610.85089 g/mol |
Topological Polar Surface Area | 156 Ų |
Heavy Atom Count | 27 |
Formal Charge | 0 |
Complexity | 617 |
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 |