1397005-80-9
Product Name:
2-(3,3-DIMETHYL-3,4-DIHYDRO-ISOQUINOLIN-1-YLAMINO)-3-PHENYL-PROPIONIC ACID
Formula:
C20H22N2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 322.4 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 322.168127949 g/mol |
| Monoisotopic Mass | 322.168127949 g/mol |
| Topological Polar Surface Area | 61.7 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 480 |
| 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 |