72575-56-5
Product Name:
5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(4-nitr o-3- (trifluoromethyl)phenoxy)-, cis-
Formula:
C20H21F3N2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 394.4 g/mol |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 394.15042702 g/mol |
| Monoisotopic Mass | 394.15042702 g/mol |
| Topological Polar Surface Area | 58.3 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 538 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |