885274-36-2
Product Name:
2-(4-BOC-PIPERAZINYL)-2-(4-CYANO-PHENYL)ACETIC ACID
Formula:
C18H23N3O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 345.4 g/mol |
|---|---|
| XLogP3 | -0.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 345.16885622 g/mol |
| Monoisotopic Mass | 345.16885622 g/mol |
| Topological Polar Surface Area | 93.9 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 532 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |