4-(2,3-dihydro-1H-indol-1-yl)-3-nitrobenzoic acid
Chemical Structure Depiction of
4-(2,3-dihydro-1H-indol-1-yl)-3-nitrobenzoic acid
4-(2,3-dihydro-1H-indol-1-yl)-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | K781-5610 |
| Compound Name: | 4-(2,3-dihydro-1H-indol-1-yl)-3-nitrobenzoic acid |
| Molecular Weight: | 284.27 |
| Molecular Formula: | C15 H12 N2 O4 |
| Smiles: | C1CN(c2ccccc12)c1ccc(cc1[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3742 |
| logD: | 0.5546 |
| logSw: | -3.6979 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.909 |
| InChI Key: | AQELSTUQMKWXFA-UHFFFAOYSA-N |