942474-46-6
Product Name:
1-([4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PIPERIDINE)-3-CARBOXYLIC ACID
Formula:
C13H13F3N2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 318.25 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 318.08274139 g/mol |
| Monoisotopic Mass | 318.08274139 g/mol |
| Topological Polar Surface Area | 86.4 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 438 |
| 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 |