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

62P

Summary
Name:6-[(5-CHLORO-3-METHYL-1-BENZOFURAN-2-YL)SULFONYL]PYRIDAZIN-3(2H)-ONE
Formula:C13 H9 Cl N2 O4 S
Formal charge:0
Formula weight:324.74 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.046-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonyl]pyridazin-3(2H)-one
OpenEye OEToolkits1.5.06-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonyl]-2H-pyridazin-3-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1C=CC(=NN1)S(=O)(=O)c3oc2ccc(Cl)cc2c3C
SMILES_CANONICALCACTVS3.341Cc1c2cc(Cl)ccc2oc1[S](=O)(=O)C3=NNC(=O)C=C3
SMILESCACTVS3.341Cc1c2cc(Cl)ccc2oc1[S](=O)(=O)C3=NNC(=O)C=C3
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1c2cc(ccc2oc1S(=O)(=O)C3=NNC(=O)C=C3)Cl
SMILESOpenEye OEToolkits1.5.0Cc1c2cc(ccc2oc1S(=O)(=O)C3=NNC(=O)C=C3)Cl
InChIInChI1.03InChI=1S/C13H9ClN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)
InChIKeyInChI1.03FXFPQPNUMWQRAO-UHFFFAOYSA-N

222926

건을2024-07-24부터공개중

PDB statisticsPDBj update infoContact PDBjnumon