2179304-58-4
Product Name:
Ergoline-1,8-dicarboxylic acid, 9,10-didehydro-6-methyl-, 1-(1,1-dimethylethyl) 8-methyl ester, (8α)-
Formula:
C22H26N2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 382.5 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 382.18925731 g/mol |
| Monoisotopic Mass | 382.18925731 g/mol |
| Topological Polar Surface Area | 60.8 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 683 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |