methyl 4-[1-(1H-indol-3-yl)-2-nitroethyl]benzoate
Chemical Structure Depiction of
methyl 4-[1-(1H-indol-3-yl)-2-nitroethyl]benzoate
methyl 4-[1-(1H-indol-3-yl)-2-nitroethyl]benzoate
Compound characteristics
| Compound ID: | 8017-2312 |
| Compound Name: | methyl 4-[1-(1H-indol-3-yl)-2-nitroethyl]benzoate |
| Molecular Weight: | 324.33 |
| Molecular Formula: | C18 H16 N2 O4 |
| Smiles: | COC(c1ccc(cc1)C(C[N+]([O-])=O)c1c[nH]c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5978 |
| logD: | 3.2898 |
| logSw: | -3.7243 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.66 |
| InChI Key: | OAZLTQNRHLJEGC-MRXNPFEDSA-N |