3-nitro-4-(pyrrolidin-1-yl)benzoic acid
Chemical Structure Depiction of
3-nitro-4-(pyrrolidin-1-yl)benzoic acid
3-nitro-4-(pyrrolidin-1-yl)benzoic acid
Compound characteristics
| Compound ID: | K781-0107 |
| Compound Name: | 3-nitro-4-(pyrrolidin-1-yl)benzoic acid |
| Molecular Weight: | 236.22 |
| Molecular Formula: | C11 H12 N2 O4 |
| Smiles: | C1CCN(C1)c1ccc(cc1[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4395 |
| logD: | -0.3801 |
| logSw: | -2.6055 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.245 |
| InChI Key: | MKTQASLRSMDHRE-UHFFFAOYSA-N |