951624-87-6
Product Name:
1-[2-(METHYLSULFONYL)-4-NITROPHENYL]PIPERIDINE-3-CARBOXYLIC ACID
Formula:
C13H16N2O6S
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COMPUTED DESCRIPTORS
Molecular Weight | 328.34 g/mol |
---|---|
XLogP3 | 1.1 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 3 |
Exact Mass | 328.07290741 g/mol |
Monoisotopic Mass | 328.07290741 g/mol |
Topological Polar Surface Area | 129 Ų |
Heavy Atom Count | 22 |
Formal Charge | 0 |
Complexity | 538 |
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 |