2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl propanoate
Chemical Structure Depiction of
2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl propanoate
2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl propanoate
Compound characteristics
| Compound ID: | K786-2142 |
| Compound Name: | 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl propanoate |
| Molecular Weight: | 314.68 |
| Molecular Formula: | C11 H11 Cl N4 O5 |
| Smiles: | CCC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.2556 |
| logD: | 3.2556 |
| logSw: | -3.6046 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.981 |
| InChI Key: | VKOARRBGUYSSTB-UHFFFAOYSA-N |