108312-24-9
Product Name:
N-(3-NITRO-2-PYRIDINESULFENYL)-L-ASPARTIC ACID BETA-T-BUTYL ESTER
Formula:
C13H17N3O6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 343.36 g/mol |
|---|---|
| XLogP3 | -1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 343.08380644 g/mol |
| Monoisotopic Mass | 343.08380644 g/mol |
| Topological Polar Surface Area | 160 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 448 |
| 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 |