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

MFG

Summary
Name:(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-1-IMINE
Formula:C11 H12 F N
Formal charge:0
Formula weight:177.218 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(1E)-4-(4-fluorophenyl)-2-methylidenebutan-1-imine
OpenEye OEToolkits1.5.04-(4-fluorophenyl)-2-methylidene-butan-1-imine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1ccc(cc1)CCC(=C)/C=[N@H]
SMILES_CANONICALCACTVS3.341Fc1ccc(CCC(=C)C=N)cc1
SMILESCACTVS3.341Fc1ccc(CCC(=C)C=N)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0[H]/N=C/C(=C)CCc1ccc(cc1)F
SMILESOpenEye OEToolkits1.5.0[H]N=CC(=C)CCc1ccc(cc1)F
InChIInChI1.03InChI=1S/C11H12FN/c1-9(8-13)2-3-10-4-6-11(12)7-5-10/h4-8,13H,1-3H2/b13-8+
InChIKeyInChI1.03CFVUPEQWSFCCFT-MDWZMJQESA-N

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon