5568-42-3
Product Name:
1H-1,2,4-Triazol-5-amine, N-[(4-nitrophenyl)methylene]-
Formula:
C9H7N5O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 458.5 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 458.19540532 g/mol |
| Monoisotopic Mass | 458.19540532 g/mol |
| Topological Polar Surface Area | 98.1 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 691 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 2 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |