2-[4-(2-hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoic acid
Chemical Structure Depiction of
2-[4-(2-hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoic acid
2-[4-(2-hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoic acid
Compound characteristics
| Compound ID: | 8008-0717 |
| Compound Name: | 2-[4-(2-hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoic acid |
| Molecular Weight: | 340.29 |
| Molecular Formula: | C13 H16 N4 O7 |
| Smiles: | C1CN(CCN1CCO)c1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2345 |
| logD: | -2.3694 |
| logSw: | -1.9135 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.405 |
| InChI Key: | NHUNQOYVQPNQDB-UHFFFAOYSA-N |