Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

DSJ

Summary
Name:1-(4-amino-2-hydroxyphenyl)ethan-1-one
Formula:C8 H9 N O2
Formal charge:0
Formula weight:151.163 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(4-amino-2-hydroxyphenyl)ethan-1-one
OpenEye OEToolkits1.7.61-(4-azanyl-2-oxidanyl-phenyl)ethanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(O)cc(ccc1C(=O)C)N
InChIInChI1.03InChI=1S/C8H9NO2/c1-5(10)7-3-2-6(9)4-8(7)11/h2-4,11H,9H2,1H3
InChIKeyInChI1.03QQZFVONVJPXCSQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)c1ccc(N)cc1O
SMILESCACTVS3.385CC(=O)c1ccc(N)cc1O
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(=O)c1ccc(cc1O)N
SMILESOpenEye OEToolkits1.7.6CC(=O)c1ccc(cc1O)N

222926

數據於2024-07-24公開中

PDB statisticsPDBj update infoContact PDBjnumon