[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetic acid
Chemical Structure Depiction of
[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetic acid
[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetic acid
Compound characteristics
| Compound ID: | 8020-1816 |
| Compound Name: | [3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetic acid |
| Molecular Weight: | 248.19 |
| Molecular Formula: | C10 H8 N4 O4 |
| Smiles: | C(C(O)=O)c1nc(c2ccc(cc2)[N+]([O-])=O)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.4323 |
| logD: | -1.8023 |
| logSw: | -2.0796 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.779 |
| InChI Key: | PUDWBRMRYFQHKH-UHFFFAOYSA-N |