benzyl 3-(1H-indol-3-yl)-2-nitroprop-2-enoate
Chemical Structure Depiction of
benzyl 3-(1H-indol-3-yl)-2-nitroprop-2-enoate
benzyl 3-(1H-indol-3-yl)-2-nitroprop-2-enoate
Compound characteristics
| Compound ID: | 0167-0096 |
| Compound Name: | benzyl 3-(1H-indol-3-yl)-2-nitroprop-2-enoate |
| Molecular Weight: | 322.32 |
| Molecular Formula: | C18 H14 N2 O4 |
| Smiles: | C(c1ccccc1)OC(/C(=C/c1c[nH]c2ccccc12)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0428 |
| logD: | 4.0428 |
| logSw: | -4.3948 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.225 |
| InChI Key: | NNDHSWLARLEUHU-UHFFFAOYSA-N |