HWH
Summary
| Name: | ~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide |
| Formula: | C12 H13 F N2 O |
| Formal charge: | 0 |
| Formula weight: | 220.243 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H13FN2O/c1-8(16)14-5-4-9-7-15-12-3-2-10(13)6-11(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16) |
| InChIKey | InChI | 1.03 | UDLASALUJLTGJV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCCc1c[nH]c2ccc(F)cc12 |
| SMILES | CACTVS | 3.385 | CC(=O)NCCc1c[nH]c2ccc(F)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)NCCc1c[nH]c2c1cc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)NCCc1c[nH]c2c1cc(cc2)F |
