909725-62-8
Product Name:
[(3R)-3-Amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]-phosphonic acid mono(trifluoroacetate)
Formula:
C18H28F3N2O6P
Synonyms:
S1P1 Antagonist
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 342.37 g/mol |
|---|---|
| XLogP3 | -0.6 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 10 |
| Exact Mass | 342.17084434 g/mol |
| Monoisotopic Mass | 342.17084434 g/mol |
| Topological Polar Surface Area | 113 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 400 |
| 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 |