1429908-33-7
Product Name:
Benzoic acid, 3-?methyl-?4-?[[2-?(1-?piperazinyl)?phenyl]?thio]?-
Formula:
C18H20N2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 328.4 g/mol |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 328.12454906 g/mol |
| Monoisotopic Mass | 328.12454906 g/mol |
| Topological Polar Surface Area | 77.9 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 401 |
| 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 |