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W0E

Summary
Name:3-azanyl-5-methyl-phenol
Formula:C7 H9 N O
Formal charge:0
Formula weight:123.152 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-azanyl-5-methyl-phenol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C7H9NO/c1-5-2-6(8)4-7(9)3-5/h2-4,9H,8H2,1H3
InChIKeyInChI1.06NCUABBHFJSFKOJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(N)cc(O)c1
SMILESCACTVS3.385Cc1cc(N)cc(O)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(cc(c1)O)N
SMILESOpenEye OEToolkits2.0.7Cc1cc(cc(c1)O)N

221051

PDB entries from 2024-06-12

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