175205-01-3
Product Name:
2-[(6-METHOXY-3-NITRO-2-PYRIDYL)THIO]PROPANOIC ACID
Formula:
C9H10N2O5S
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COMPUTED DESCRIPTORS
Molecular Weight | 258.25 g/mol |
---|---|
XLogP3 | 1.8 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 4 |
Exact Mass | 258.03104260 g/mol |
Monoisotopic Mass | 258.03104260 g/mol |
Topological Polar Surface Area | 131 Ų |
Heavy Atom Count | 17 |
Formal Charge | 0 |
Complexity | 296 |
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 |