1-[(2-chlorophenyl)methyl]-5-propyl-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-[(2-chlorophenyl)methyl]-5-propyl-1H-1,2,3-triazole-4-carboxylic acid
1-[(2-chlorophenyl)methyl]-5-propyl-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0638 |
| Compound Name: | 1-[(2-chlorophenyl)methyl]-5-propyl-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 279.72 |
| Molecular Formula: | C13 H14 Cl N3 O2 |
| Smiles: | CCCc1c(C(O)=O)nnn1Cc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.4082 |
| logD: | -1.3876 |
| logSw: | -2.7091 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.864 |
| InChI Key: | OSQUOMHFDYOXCH-UHFFFAOYSA-N |