chloroform   Click here for help

GtoPdb Ligand ID: 2503

PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 0
Molecular weight 117.91
XLogP 2.07
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES ClC(Cl)Cl
Isomeric SMILES ClC(Cl)Cl
InChI InChI=1S/CHCl3/c2-1(3)4/h1H
InChI Key HEDRZPFGACZZDS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Chloroform
Database Links Click here for help
CAS Registry No. 67-66-3 (source: ChEBI)
ChEBI CHEBI:35255
ChEMBL Ligand CHEMBL44618
DrugCentral Ligand 4363
GtoPdb PubChem SID 178100227
PubChem CID 6212
RCSB PDB Ligand MCH
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Wikipedia Chloroform