methyl 3-(2-nitroethenyl)-1H-indole-7-carboxylate
Chemical Structure Depiction of
methyl 3-(2-nitroethenyl)-1H-indole-7-carboxylate
methyl 3-(2-nitroethenyl)-1H-indole-7-carboxylate
Compound characteristics
| Compound ID: | 0496-0022 |
| Compound Name: | methyl 3-(2-nitroethenyl)-1H-indole-7-carboxylate |
| Molecular Weight: | 246.22 |
| Molecular Formula: | C12 H10 N2 O4 |
| Smiles: | COC(c1cccc2c(/C=C/[N+]([O-])=O)c[nH]c12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1961 |
| logD: | 2.1961 |
| logSw: | -2.8014 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.313 |
| InChI Key: | ZIWUVIOQXRVBSU-UHFFFAOYSA-N |