Structure
|
|
|
| InChI Key |
FMGQOJATXJFNGA-UHFFFAOYSA-N |
| Smiles |
[O-][N+](=O)c1cc(c(Oc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-]
|
| InChI |
InChI=1S/C12H4N6O13/c19-13(20)5-1-7(15(23)24)11(8(2-5)16(25)26)31-12-9(17(27)28)3-6(14(21)22)4-10(12)18(29)30/h1-4H
|
Physicochemical Descriptors
| Property Name |
Value |
|
| Molecular Formula |
C12H4N6O13 |
| Molecular Weight |
439.98 |
| AlogP |
2.93 |
| Hydrogen Bond Acceptor |
13.0 |
| Number of Rotational Bond |
8.0 |
| Polar Surface Area |
268.07 |
| Heavy Atoms |
31.0 |
Cross References
