IND

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Summary

Name:INDOLE
Formula:C8 H7 N
Formal charge:0
Molecular weight:117.148 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041H-indole
OpenEye OEToolkits1.5.01H-indole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04c1cccc2c1ccn2
SMILES_CANONICALCACTVS3.341[nH]1ccc2ccccc12
SMILESCACTVS3.341[nH]1ccc2ccccc12
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2c(c1)cc[nH]2
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)cc[nH]2
InChIInChI1.03InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
InChIKeyInChI1.03SIKJAQJRHWYJAI-UHFFFAOYSA-N
169963
PDB entries from 2020-10-14