4-(4-methylpiperazin-1-yl)-3,5-dinitrobenzoic acid
Chemical Structure Depiction of
4-(4-methylpiperazin-1-yl)-3,5-dinitrobenzoic acid
4-(4-methylpiperazin-1-yl)-3,5-dinitrobenzoic acid
Compound characteristics
| Compound ID: | K781-1344 |
| Compound Name: | 4-(4-methylpiperazin-1-yl)-3,5-dinitrobenzoic acid |
| Molecular Weight: | 310.26 |
| Molecular Formula: | C12 H14 N4 O6 |
| Smiles: | CN1CCN(CC1)c1c(cc(cc1[N+]([O-])=O)C(O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1576 |
| logD: | 2.1576 |
| logSw: | -2.0537 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.135 |
| InChI Key: | NIEMTJYLZCMKQZ-UHFFFAOYSA-N |