765269-29-2
Product Name:
3-Bromo-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
Formula:
C13H17BrN2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 313.19 g/mol |
|---|---|
| XLogP3 | -0.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 312.04734 g/mol |
| Monoisotopic Mass | 312.04734 g/mol |
| Topological Polar Surface Area | 43.8 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 293 |
| 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 |