477854-55-0
Product Name:
4-[(3-CHLOROPHENYL)SULFANYL]-2-PHENYL-5-PYRIMIDINECARBOXYLIC ACID
Formula:
C17H11ClN2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 342.8 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 342.0229765 g/mol |
| Monoisotopic Mass | 342.0229765 g/mol |
| Topological Polar Surface Area | 88.4 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 406 |
| 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 |