7KE
Summary
| Name: | 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol |
| Formula: | C11 H11 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 238.67 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H11ClN2O2/c12-9-5-3-8(4-6-9)11-13-10(16-14-11)2-1-7-15/h3-6,15H,1-2,7H2 |
| InChIKey | InChI | 1.03 | BTURSBZSHDJVMU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCCc1onc(n1)c2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | OCCCc1onc(n1)c2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2nc(on2)CCCO)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2nc(on2)CCCO)Cl |
