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G60

Summary
Name:2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine
Formula:C11 H13 Cl N2
Formal charge:0
Formula weight:208.687 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-(5-chloranyl-2-methyl-1~{H}-indol-3-yl)ethanamine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C11H13ClN2/c1-7-9(4-5-13)10-6-8(12)2-3-11(10)14-7/h2-3,6,14H,4-5,13H2,1H3
InChIKeyInChI1.03PPPQHAMKVHECAL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1[nH]c2ccc(Cl)cc2c1CCN
SMILESCACTVS3.385Cc1[nH]c2ccc(Cl)cc2c1CCN
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(c2cc(ccc2[nH]1)Cl)CCN
SMILESOpenEye OEToolkits2.0.7Cc1c(c2cc(ccc2[nH]1)Cl)CCN

222415

PDB entries from 2024-07-10

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