9JW
Summary
| Name: | 2-fluoranyl-3-[6-[1-(4-fluoranyl-3-oxidanyl-phenyl)ethenyl]pyridin-2-yl]phenol |
| Formula: | C19 H13 F2 N O2 |
| Formal charge: | 0 |
| Formula weight: | 325.309 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-fluoranyl-3-[6-[1-(4-fluoranyl-3-oxidanyl-phenyl)ethenyl]pyridin-2-yl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H13F2NO2/c1-11(12-8-9-14(20)18(24)10-12)15-5-3-6-16(22-15)13-4-2-7-17(23)19(13)21/h2-10,23-24H,1H2 |
| InChIKey | InChI | 1.03 | LSHVGZUGKOCADJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(ccc1F)C(=C)c2cccc(n2)c3cccc(O)c3F |
| SMILES | CACTVS | 3.385 | Oc1cc(ccc1F)C(=C)c2cccc(n2)c3cccc(O)c3F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C=C(c1ccc(c(c1)O)F)c2cccc(n2)c3cccc(c3F)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C=C(c1ccc(c(c1)O)F)c2cccc(n2)c3cccc(c3F)O |
