924869-05-6
Product Name:
ETHYL 5-CYANO-2-[4-(2-HYDROXYETHYL)PIPERAZINO]-6-METHYLNICOTINATE
Formula:
C16H22N4O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 318.37 g/mol |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 318.16919058 g/mol |
| Monoisotopic Mass | 318.16919058 g/mol |
| Topological Polar Surface Area | 89.7 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 442 |
| 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 |