I7O
Summary
Name: | 2-indol-1-ylethanoic acid |
Formula: | C10 H9 N O2 |
Formal charge: | 0 |
Formula weight: | 175.184 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 2-indol-1-ylethanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C10H9NO2/c12-10(13)7-11-6-5-8-3-1-2-4-9(8)11/h1-6H,7H2,(H,12,13) |
InChIKey | InChI | 1.06 | WQJFIWXYPKYBTO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cn1ccc2ccccc12 |
SMILES | CACTVS | 3.385 | OC(=O)Cn1ccc2ccccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)ccn2CC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)ccn2CC(=O)O |