350508-26-8
Product Name:
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone N-b-D-Glucuronide
Formula:
C16H21N3O8
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COMPUTED DESCRIPTORS
| Molecular Weight | 383.35 g/mol |
|---|---|
| XLogP3 | -0.4 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 6 |
| Exact Mass | 383.13286464 g/mol |
| Monoisotopic Mass | 383.13286464 g/mol |
| Topological Polar Surface Area | 164 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 542 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |