C1M
Summary
| Name: | 1-(4-CHLOROPHENYL)-1H-TETRAZOLE |
| Synonyms: | INHIBITOR OF THROMBIN |
| Formula: | C7 H5 Cl N4 |
| Formal charge: | 0 |
| Formula weight: | 180.594 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-(4-chlorophenyl)-1H-tetrazole |
| OpenEye OEToolkits | 1.6.1 | 1-(4-chlorophenyl)-1,2,3,4-tetrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1ccc(cc1)n2nnnc2 |
| SMILES_CANONICAL | CACTVS | 3.352 | Clc1ccc(cc1)n2cnnn2 |
| SMILES | CACTVS | 3.352 | Clc1ccc(cc1)n2cnnn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cc(ccc1n2cnnn2)Cl |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1cc(ccc1n2cnnn2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C7H5ClN4/c8-6-1-3-7(4-2-6)12-5-9-10-11-12/h1-5H |
| InChIKey | InChI | 1.03 | FVXFXVKZUVWQGE-UHFFFAOYSA-N |
