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

BHL

Summary
Name:6-BROMOHEXAN-1-OL
Synonyms:6-BROMOHEXANOL
Formula:C6 H13 Br O
Formal charge:0
Formula weight:181.071 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.046-bromohexan-1-ol
OpenEye OEToolkits1.5.06-bromohexan-1-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04BrCCCCCCO
SMILES_CANONICALCACTVS3.341OCCCCCCBr
SMILESCACTVS3.341OCCCCCCBr
SMILES_CANONICALOpenEye OEToolkits1.5.0C(CCCBr)CCO
SMILESOpenEye OEToolkits1.5.0C(CCCBr)CCO
InChIInChI1.03InChI=1S/C6H13BrO/c7-5-3-1-2-4-6-8/h8H,1-6H2
InChIKeyInChI1.03FCMCSZXRVWDVAW-UHFFFAOYSA-N

222624

數據於2024-07-17公開中

PDB statisticsPDBj update infoContact PDBjnumon