535966-72-4
Product Name:
2-[[[(3-BROMOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
Formula:
C15H10BrIN2O3S
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COMPUTED DESCRIPTORS
Molecular Weight | 505.1 g/mol |
---|---|
XLogP3 | 4.4 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 3 |
Exact Mass | 503.86402 g/mol |
Monoisotopic Mass | 503.86402 g/mol |
Topological Polar Surface Area | 111 Ų |
Heavy Atom Count | 23 |
Formal Charge | 0 |
Complexity | 480 |
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 |