531548-51-3
Product Name:
2-[[[(3-BROMO-4-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
Formula:
C16H12BrIN2O4S
Inquiry
COMPUTED DESCRIPTORS
Molecular Weight | 535.2 g/mol |
---|---|
XLogP3 | 4.4 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 4 |
Exact Mass | 533.87459 g/mol |
Monoisotopic Mass | 533.87459 g/mol |
Topological Polar Surface Area | 120 Ų |
Heavy Atom Count | 25 |
Formal Charge | 0 |
Complexity | 524 |
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 |