536979-91-6
Product Name:
5-IODO-2-[[[(4-METHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula:
C16H12IN3O6S
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COMPUTED DESCRIPTORS
Molecular Weight | 501.3 g/mol |
---|---|
XLogP3 | 3.5 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 4 |
Exact Mass | 500.94915 g/mol |
Monoisotopic Mass | 500.94915 g/mol |
Topological Polar Surface Area | 166 Ų |
Heavy Atom Count | 27 |
Formal Charge | 0 |
Complexity | 601 |
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 |