4-(4-acetylpiperazin-1-yl)-3-nitrobenzoic acid
Chemical Structure Depiction of
4-(4-acetylpiperazin-1-yl)-3-nitrobenzoic acid
4-(4-acetylpiperazin-1-yl)-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | K781-0470 |
| Compound Name: | 4-(4-acetylpiperazin-1-yl)-3-nitrobenzoic acid |
| Molecular Weight: | 293.28 |
| Molecular Formula: | C13 H15 N3 O5 |
| Smiles: | CC(N1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4366 |
| logD: | -1.3831 |
| logSw: | -1.8202 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.074 |
| InChI Key: | MAVOKEBVUFLMCU-UHFFFAOYSA-N |