3-nitro-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)benzoic acid
Chemical Structure Depiction of
3-nitro-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)benzoic acid
3-nitro-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)benzoic acid
Compound characteristics
| Compound ID: | 8012-2649 |
| Compound Name: | 3-nitro-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)benzoic acid |
| Molecular Weight: | 318.37 |
| Molecular Formula: | C17 H22 N2 O4 |
| Smiles: | CC1(C)CC2CC(C)(C1)CN2c1ccc(cc1[N+]([O-])=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.718 |
| logD: | 0.8984 |
| logSw: | -4.0821 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.564 |
| InChI Key: | KYQBVAJBHJTDDX-UHFFFAOYSA-N |