845879-31-4
Product Name:
N-(2-IMINO-3-OXO-3-PHENYLPROPANENITRILE)BENZOATE
Formula:
C16H10N2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 278.26 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 278.06914219 g/mol |
| Monoisotopic Mass | 278.06914219 g/mol |
| Topological Polar Surface Area | 79.5 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 463 |
| 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 |