961-45-5
Product Name:
8-PHENYLTHEOPHYLLINE
Formula:
C13H12N4O2
Synonyms:
8-Phenyltheophylline
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COMPUTED DESCRIPTORS
| Molecular Weight | 256.26 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 256.09602564 g/mol |
| Monoisotopic Mass | 256.09602564 g/mol |
| Topological Polar Surface Area | 69.3 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 394 |
| 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 |