1-{4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenyl}ethan-1-one
1-{4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenyl}ethan-1-one
Compound characteristics
| Compound ID: | K034-0111 |
| Compound Name: | 1-{4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenyl}ethan-1-one |
| Molecular Weight: | 298.26 |
| Molecular Formula: | C14 H10 N4 O4 |
| Smiles: | CC(c1ccc(cc1)Nc1ccc2c(c1[N+]([O-])=O)non2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6998 |
| logD: | 3.6998 |
| logSw: | -4.1201 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.149 |
| InChI Key: | FPGJGQCKQCJWBV-UHFFFAOYSA-N |