937604-36-9
Product Name:
5-IODO-2-OXO-1-[4-(TRIFLUOROMETHYL)BENZYL]-1,2-DIHYDRO-3-PYRIDINECARBOXYLIC ACID
Formula:
C14H9F3INO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 423.12 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 422.95793 g/mol |
| Monoisotopic Mass | 422.95793 g/mol |
| Topological Polar Surface Area | 57.6 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 534 |
| 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 |