162339-93-7
Product Name:
3-(5-amino-4-cyano-1H-pyrazol-1-yl)benzoic acid
Formula:
C11H8N4O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 228.21 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 228.06472551 g/mol |
| Monoisotopic Mass | 228.06472551 g/mol |
| Topological Polar Surface Area | 105 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 351 |
| 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 |