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EJW

Summary
Name:(3-phenyl-1,2-oxazol-5-yl)methylazanium
Formula:C10 H11 N2 O
Formal charge:1
Formula weight:175.207 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6(3-phenyl-1,2-oxazol-5-yl)methylazanium

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C10H10N2O/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-6H,7,11H2/p+1
InChIKeyInChI1.03AQZLTCXQTOKUAA-UHFFFAOYSA-O
SMILES_CANONICALCACTVS3.385[NH3+]Cc1onc(c1)c2ccccc2
SMILESCACTVS3.385[NH3+]Cc1onc(c1)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)c2cc(on2)C[NH3+]
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)c2cc(on2)C[NH3+]

218853

PDB entries from 2024-04-24

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