1452572-57-4
Product Name:
1-[2-(METHYLSULFONYL)-4-NITROPHENYL]PYRROLIDINE-2-CARBOXYLIC ACID
Formula:
C12H14N2O6S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 314.32 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 314.05725734 g/mol |
| Monoisotopic Mass | 314.05725734 g/mol |
| Topological Polar Surface Area | 129 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 523 |
| 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 |