MFZ
Summary
| Name: | 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol |
| Formula: | C11 H7 Cl2 N O |
| Formal charge: | 0 |
| Formula weight: | 240.085 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 3-[4,7-bis(chloranyl)-1H-indol-3-yl]prop-2-yn-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H7Cl2NO/c12-8-3-4-9(13)11-10(8)7(6-14-11)2-1-5-15/h3-4,6,14-15H,5H2 |
| InChIKey | InChI | 1.03 | VIZAOCOKGQUJRZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC#Cc1c[nH]c2c(Cl)ccc(Cl)c12 |
| SMILES | CACTVS | 3.385 | OCC#Cc1c[nH]c2c(Cl)ccc(Cl)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c2c(c1Cl)c(c[nH]2)C#CCO)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c2c(c1Cl)c(c[nH]2)C#CCO)Cl |
