CQL
Summary
Name: | 5-chloro-7-iodoquinolin-8-ol |
Synonyms: | Clioquinol |
Formula: | C9 H5 Cl I N O |
Formal charge: | 0 |
Formula weight: | 305.5 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 11.02 | 5-chloro-7-iodoquinolin-8-ol |
OpenEye OEToolkits | 1.6.1 | 5-chloro-7-iodo-quinolin-8-ol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | Ic1c(O)c2ncccc2c(Cl)c1 |
SMILES_CANONICAL | CACTVS | 3.352 | Oc1c(I)cc(Cl)c2cccnc12 |
SMILES | CACTVS | 3.352 | Oc1c(I)cc(Cl)c2cccnc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc(c(c2nc1)O)I)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc(c(c2nc1)O)I)Cl |
InChI | InChI | 1.03 | InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H |
InChIKey | InChI | 1.03 | QCDFBFJGMNKBDO-UHFFFAOYSA-N |