604003-26-1
Product Name:
4-Oxo-5,6,7,8-tetrahydro-4H-1,5,8a-triaza-azulene-2-carboxylic acid ethyl ester
Formula:
C10H13N3O3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 223.23 g/mol |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 223.09569129 g/mol |
| Monoisotopic Mass | 223.09569129 g/mol |
| Topological Polar Surface Area | 73.2 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 295 |
| 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 |