4-(azepan-1-yl)-3-nitrobenzoic acid
Chemical Structure Depiction of
4-(azepan-1-yl)-3-nitrobenzoic acid
4-(azepan-1-yl)-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | K781-0362 |
| Compound Name: | 4-(azepan-1-yl)-3-nitrobenzoic acid |
| Molecular Weight: | 264.28 |
| Molecular Formula: | C13 H16 N2 O4 |
| Smiles: | C1CCCN(CC1)c1ccc(cc1[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2903 |
| logD: | 0.4706 |
| logSw: | -3.5646 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.21 |
| InChI Key: | NLOLIKPXLGXANL-UHFFFAOYSA-N |