methyl 4-(2,3-dihydro-1H-indol-1-yl)-3-nitrobenzoate
Chemical Structure Depiction of
methyl 4-(2,3-dihydro-1H-indol-1-yl)-3-nitrobenzoate
methyl 4-(2,3-dihydro-1H-indol-1-yl)-3-nitrobenzoate
Compound characteristics
| Compound ID: | K783-0188 |
| Compound Name: | methyl 4-(2,3-dihydro-1H-indol-1-yl)-3-nitrobenzoate |
| Molecular Weight: | 298.3 |
| Molecular Formula: | C16 H14 N2 O4 |
| Smiles: | COC(c1ccc(c(c1)[N+]([O-])=O)N1CCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5216 |
| logD: | 3.5216 |
| logSw: | -3.7991 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.675 |
| InChI Key: | GNBNXKBBMFFTRD-UHFFFAOYSA-N |