850021-39-5
Product Name:
3-Pyridinecarboxylic acid, 2-amino-6-[(carboxymethyl)thio]-5-cyano-, 3-ethyl ester
Formula:
C11H11N3O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 281.29 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 281.04702701 g/mol |
| Monoisotopic Mass | 281.04702701 g/mol |
| Topological Polar Surface Area | 152 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 395 |
| 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 |