ASE

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Summary

Name:N-ACETYL SEROTONIN
Formula:C12 H14 N2 O2
Formal charge:0
Molecular weight:218.252 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide
OpenEye OEToolkits1.5.0N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NCCc2c1cc(O)ccc1nc2)C
SMILES_CANONICALCACTVS3.341CC(=O)NCCc1c[nH]c2ccc(O)cc12
SMILESCACTVS3.341CC(=O)NCCc1c[nH]c2ccc(O)cc12
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(=O)NCCc1c[nH]c2c1cc(cc2)O
SMILESOpenEye OEToolkits1.5.0CC(=O)NCCc1c[nH]c2c1cc(cc2)O
InChIInChI1.03InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
InChIKeyInChI1.03MVAWJSIDNICKHF-UHFFFAOYSA-N
170172
PDB entries from 2020-10-21