957023-35-7
Product Name:
3-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-1-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE
Formula:
C14H14N2O3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 258.27 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 258.10044231 g/mol |
| Monoisotopic Mass | 258.10044231 g/mol |
| Topological Polar Surface Area | 53.4 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 326 |
| 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 |