UJF
Summary
| Name: | 4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol |
| Formula: | C14 H14 I N O2 |
| Formal charge: | 0 |
| Formula weight: | 355.171 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H14INO2/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12/h1-6,9,17H,7-8,16H2 |
| InChIKey | InChI | 1.06 | XIINYOJWNGOUPF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCc1ccc(Oc2ccc(O)cc2)c(I)c1 |
| SMILES | CACTVS | 3.385 | NCCc1ccc(Oc2ccc(O)cc2)c(I)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1O)Oc2ccc(cc2I)CCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1O)Oc2ccc(cc2I)CCN |
