321979-20-8
Product Name:
2-([2-(3-NITROPHENYL)-2-OXOETHYL]THIO)NICOTINIC ACID
Formula:
C14H10N2O5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 318.31 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 318.03104260 g/mol |
| Monoisotopic Mass | 318.03104260 g/mol |
| Topological Polar Surface Area | 138 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 439 |
| 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 |
PRODUCT INTRODUCTION
description
2-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid is an aromatic ketone.