{[4-(2-methylprop-2-en-1-yl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
					Chemical Structure Depiction of
{[4-(2-methylprop-2-en-1-yl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
			{[4-(2-methylprop-2-en-1-yl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | F235-1941 | 
| Compound Name: | {[4-(2-methylprop-2-en-1-yl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid | 
| Molecular Weight: | 334.35 | 
| Molecular Formula: | C14 H14 N4 O4 S | 
| Smiles: | CC(=C)Cn1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCC(O)=O | 
| Stereo: | ACHIRAL | 
| logP: | 2.6348 | 
| logD: | -0.6577 | 
| logSw: | -2.755 | 
| Hydrogen bond acceptors count: | 10 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 86.278 | 
| InChI Key: | BVHKEBYIBWWWRD-UHFFFAOYSA-N | 
 
				 
				