3,5-dinitro-4-(pyrrolidin-1-yl)benzoic acid
Chemical Structure Depiction of
3,5-dinitro-4-(pyrrolidin-1-yl)benzoic acid
3,5-dinitro-4-(pyrrolidin-1-yl)benzoic acid
Compound characteristics
| Compound ID: | K781-1342 |
| Compound Name: | 3,5-dinitro-4-(pyrrolidin-1-yl)benzoic acid |
| Molecular Weight: | 281.22 |
| Molecular Formula: | C11 H11 N3 O6 |
| Smiles: | C1CCN(C1)c1c(cc(cc1[N+]([O-])=O)C(O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0654 |
| logD: | -0.1793 |
| logSw: | -3.5122 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.024 |
| InChI Key: | DJLPDYUHXZZEHS-UHFFFAOYSA-N |