343373-33-1
Product Name:
4-(4-BROMOPHENYL)-2-(3-NITRO-2-PYRIDINYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
Formula:
C13H8BrN5O3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 362.14 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 360.98105 g/mol |
| Monoisotopic Mass | 360.98105 g/mol |
| Topological Polar Surface Area | 94.6 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 475 |
| 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 |