950114-53-1
Product Name:
2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-2-yl}acetic Acid
Formula:
C9H13N3O3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 211.22 g/mol |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 211.09569129 g/mol |
| Monoisotopic Mass | 211.09569129 g/mol |
| Topological Polar Surface Area | 73.2 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 327 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |