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

N4B

Summary
Name:N-BUTYLBENZENE
Formula:C10 H14
Formal charge:0
Formula weight:134.218 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04butylbenzene
OpenEye OEToolkits1.5.0butylbenzene

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04c1ccccc1CCCC
SMILES_CANONICALCACTVS3.341CCCCc1ccccc1
SMILESCACTVS3.341CCCCc1ccccc1
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCc1ccccc1
SMILESOpenEye OEToolkits1.5.0CCCCc1ccccc1
InChIInChI1.03InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3
InChIKeyInChI1.03OCKPCBLVNKHBMX-UHFFFAOYSA-N

219140

PDB entries from 2024-05-01

PDB statisticsPDBj update infoContact PDBjnumon