3,5-dinitro-4-(propylamino)benzoic acid
Chemical Structure Depiction of
3,5-dinitro-4-(propylamino)benzoic acid
3,5-dinitro-4-(propylamino)benzoic acid
Compound characteristics
| Compound ID: | K781-1340 |
| Compound Name: | 3,5-dinitro-4-(propylamino)benzoic acid |
| Molecular Weight: | 269.21 |
| Molecular Formula: | C10 H11 N3 O6 |
| Smiles: | CCCNc1c(cc(cc1[N+]([O-])=O)C(O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0419 |
| logD: | -1.2028 |
| logSw: | -2.3243 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.76 |
| InChI Key: | VBIHMHNGTLJZET-UHFFFAOYSA-N |