4-[(butan-2-yl)amino]-3,5-dinitrobenzoic acid
Chemical Structure Depiction of
4-[(butan-2-yl)amino]-3,5-dinitrobenzoic acid
4-[(butan-2-yl)amino]-3,5-dinitrobenzoic acid
Compound characteristics
| Compound ID: | K781-1396 |
| Compound Name: | 4-[(butan-2-yl)amino]-3,5-dinitrobenzoic acid |
| Molecular Weight: | 283.24 |
| Molecular Formula: | C11 H13 N3 O6 |
| Smiles: | CCC(C)Nc1c(cc(cc1[N+]([O-])=O)C(O)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4231 |
| logD: | -0.8216 |
| logSw: | -2.3149 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.36 |
| InChI Key: | CJQGADOPJHJTTA-LURJTMIESA-N |