LVF
Summary
Name: | 2-(5-chloranyl-1H-indol-3-yl)ethanenitrile |
Formula: | C10 H7 Cl N2 |
Formal charge: | 0 |
Formula weight: | 190.629 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 2-(5-chloranyl-1~{H}-indol-3-yl)ethanenitrile |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C10H7ClN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3H2 |
InChIKey | InChI | 1.06 | UHFZUNGNGGEESB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc2[nH]cc(CC#N)c2c1 |
SMILES | CACTVS | 3.385 | Clc1ccc2[nH]cc(CC#N)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cl)c(c[nH]2)CC#N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cl)c(c[nH]2)CC#N |