Structure
|
|
|
| InChI Key |
RSAGQQQIRZLFHJ-ISLYRVAYSA-N |
| Smiles |
O=C1OC(=O)c2c1cccc2N=Nc1cccc2c1C(=O)OC2=O
|
| InChI |
InChI=1S/C16H6N2O6/c19-13-7-3-1-5-9(11(7)15(21)23-13)17-18-10-6-2-4-8-12(10)16(22)24-14(8)20/h1-6H/b18-17+
|
Physicochemical Descriptors
| Property Name |
Value |
|
| Molecular Formula |
C16H6N2O6 |
| Molecular Weight |
322.02 |
| AlogP |
2.72 |
| Hydrogen Bond Acceptor |
8.0 |
| Number of Rotational Bond |
2.0 |
| Polar Surface Area |
111.46 |
| Heavy Atoms |
24.0 |
Cross References
| Resources |
Reference |
|
|
CAS NUMBER
|
30178-84-8
|
| NORMAN SUSDAT |
|
