111038-28-9
Product Name:
7-(2,3-Dihydroxypropyl)-8-butylaminotheophylline
Formula:
C14H23N5O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 325.36 g/mol |
|---|---|
| XLogP3 | -0.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 325.17500423 g/mol |
| Monoisotopic Mass | 325.17500423 g/mol |
| Topological Polar Surface Area | 111 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 449 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |