1164485-96-4
Product Name:
3-Phenyl-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]acrylonitrile
Formula:
C14H11N7
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 277.28 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 277.10759338 g/mol |
| Monoisotopic Mass | 277.10759338 g/mol |
| Topological Polar Surface Area | 96.1 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 420 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |