T1Z
[1-(3,4-dichlorophenyl)-1,2,3-triazol-4-yl]methanol
Created: | 2020-12-13 |
Last modified: | 2022-01-12 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 22 |
Chiral Atom Count | 0 |
Bond Count | 23 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
---|---|
Name | [1-(3,4-dichlorophenyl)-1,2,3-triazol-4-yl]methanol |
Systematic Name (OpenEye OEToolkits) | [1-(3,4-dichlorophenyl)-1,2,3-triazol-4-yl]methanol |
Formula | C9 H7 Cl2 N3 O |
Molecular Weight | 244.077 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | OCc1cn(nn1)c2ccc(Cl)c(Cl)c2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1n2cc(nn2)CO)Cl)Cl |
Canonical SMILES | CACTVS | 3.385 | OCc1cn(nn1)c2ccc(Cl)c(Cl)c2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1n2cc(nn2)CO)Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C9H7Cl2N3O/c10-8-2-1-7(3-9(8)11)14-4-6(5-15)12-13-14/h1-4,15H,5H2 |
InChIKey | InChI | 1.03 | DMIRTDWEKUNBDX-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 1475797 |
ChEMBL | CHEMBL1823290 |