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ENK

Summary
Name:(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine
Formula:C9 H9 N3 O
Formal charge:0
Formula weight:175.187 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C9H9N3O/c10-6-8-11-9(12-13-8)7-4-2-1-3-5-7/h1-5H,6,10H2
InChIKeyInChI1.03QFBMJBDECSEYCZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NCc1onc(n1)c2ccccc2
SMILESCACTVS3.385NCc1onc(n1)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)c2nc(on2)CN
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)c2nc(on2)CN

222415

数据于2024-07-10公开中

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