590374-61-1
Product Name:
1H-Pyrrole-3-carbonitrile, 1-acetyl-2-amino-4,5-dihydro-4-oxo- (9CI)
Formula:
C7H7N3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 165.15 g/mol |
|---|---|
| XLogP3 | -0.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 165.053826475 g/mol |
| Monoisotopic Mass | 165.053826475 g/mol |
| Topological Polar Surface Area | 88.2 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 334 |
| 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 |