866039-62-5
Product Name:
7-NITRO-2-[2-(1-PYRROLIDINYL)ETHYL]-2H-1,4-BENZOXAZIN-3(4H)-ONE
Formula:
C14H17N3O4
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >43.7 [ug/mL] (The mean of the results at pH 7.4) |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 291.30 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 291.12190603 g/mol |
| Monoisotopic Mass | 291.12190603 g/mol |
| Topological Polar Surface Area | 87.4 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 406 |
| 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 |