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Summary

Name:2-(1H-indol-3-yl)ethanol
Formula:C10 H11 N O
Formal charge:0
Molecular weight:161.2 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(1H-indol-3-yl)ethanol
OpenEye OEToolkits1.7.62-(1H-indol-3-yl)ethanol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OCCc2c1ccccc1nc2
InChIInChI1.03InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2
InChIKeyInChI1.03MBBOMCVGYCRMEA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370OCCc1c[nH]c2ccccc12
SMILESCACTVS3.370OCCc1c[nH]c2ccccc12
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc2c(c1)c(c[nH]2)CCO
SMILESOpenEye OEToolkits1.7.6c1ccc2c(c1)c(c[nH]2)CCO
170172
PDB entries from 2020-10-21