2-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-4,6-dinitro-1H-indole
Chemical Structure Depiction of
2-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-4,6-dinitro-1H-indole
2-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-4,6-dinitro-1H-indole
Compound characteristics
| Compound ID: | Y500-1028 |
| Compound Name: | 2-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-4,6-dinitro-1H-indole |
| Molecular Weight: | 453.84 |
| Molecular Formula: | C22 H16 Cl N3 O6 |
| Smiles: | COc1ccc(cc1COc1ccc(cc1)[Cl])c1cc2c(cc(cc2[nH]1)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9643 |
| logD: | 5.9643 |
| logSw: | -6.3666 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.636 |
| InChI Key: | JOOCJIKJPUVWEM-UHFFFAOYSA-N |