685107-28-2
Product Name:
3-HYDROXY-4-(1H-1,2,4-TRIAZOL-1-YL)-5-(3,4,5-TRIMETHOXYPHENYL)-2-CYCLOHEXEN-1-ONE
Formula:
C17H19N3O5
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 345.3 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 345.13247072 g/mol |
| Monoisotopic Mass | 345.13247072 g/mol |
| Topological Polar Surface Area | 95.7 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 501 |
| 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 |