4-(3-methylpiperidin-1-yl)-3,5-dinitrobenzoic acid
Chemical Structure Depiction of
4-(3-methylpiperidin-1-yl)-3,5-dinitrobenzoic acid
4-(3-methylpiperidin-1-yl)-3,5-dinitrobenzoic acid
Compound characteristics
| Compound ID: | K781-1341 |
| Compound Name: | 4-(3-methylpiperidin-1-yl)-3,5-dinitrobenzoic acid |
| Molecular Weight: | 309.28 |
| Molecular Formula: | C13 H15 N3 O6 |
| Smiles: | CC1CCCN(C1)c1c(cc(cc1[N+]([O-])=O)C(O)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6056 |
| logD: | 0.3609 |
| logSw: | -4.0477 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.592 |
| InChI Key: | LYGOUTWKSRSRPB-QMMMGPOBSA-N |