954269-24-0
Product Name:
4-{[(pyridin-3-yl)methyl]sulfanyl}benzoic acid
Formula:
C13H11NO2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 245.30 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 245.05104977 g/mol |
| Monoisotopic Mass | 245.05104977 g/mol |
| Topological Polar Surface Area | 75.5 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 252 |
| 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 |