447413-51-6
Product Name:
3-NITRO-4-(1,3,3-TRIMETHYL-6-AZABICYCLO[3.2.1]OCT-6-YL)BENZOIC ACID
Formula:
C17H22N2O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 318.4 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 318.15795719 g/mol |
| Monoisotopic Mass | 318.15795719 g/mol |
| Topological Polar Surface Area | 86.4 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 515 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |