2-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-4,6-dinitro-1H-indole
Chemical Structure Depiction of
2-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-4,6-dinitro-1H-indole
2-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-4,6-dinitro-1H-indole
Compound characteristics
| Compound ID: | Y500-6919 |
| Compound Name: | 2-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-4,6-dinitro-1H-indole |
| Molecular Weight: | 397.78 |
| Molecular Formula: | C18 H12 Cl N5 O4 |
| Smiles: | Cc1c(c2cc3c(cc(cc3[nH]2)[N+]([O-])=O)[N+]([O-])=O)c(n(c2ccccc2)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.1546 |
| logD: | 4.1546 |
| logSw: | -4.7997 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.578 |
| InChI Key: | CEDQJKGRVDPUTP-UHFFFAOYSA-N |