2-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]phenol
Chemical Structure Depiction of
2-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]phenol
2-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]phenol
Compound characteristics
Compound ID: | 1582-0051 |
Compound Name: | 2-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]phenol |
Molecular Weight: | 317.21 |
Molecular Formula: | C12 H7 N5 O6 |
Smiles: | c1ccc(c(c1)Nc1c(cc(c2c1non2)[N+]([O-])=O)[N+]([O-])=O)O |
Stereo: | ACHIRAL |
logP: | 3.2221 |
logD: | 3.2221 |
logSw: | -3.4063 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 126.627 |
InChI Key: | XIEHSGLSOVLYNG-UHFFFAOYSA-N |