108312-26-1
Product Name:
N-ALPHA-(3-NITRO-2-PYRIDINESULFENYL)-N-IM-TOSYL-L-HISTIDINE
Formula:
C18H17N5O6S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 463.5 g/mol |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 8 |
| Exact Mass | 463.06202563 g/mol |
| Monoisotopic Mass | 463.06202563 g/mol |
| Topological Polar Surface Area | 194 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 735 |
| 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 |