1-1-1-trichloroethane   Click here for help

GtoPdb Ligand ID: 5482

Synonyms: methylchloroform
Compound class: Synthetic organic
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 131.93
XLogP 2.47
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(Cl)(Cl)Cl
Isomeric SMILES CC(Cl)(Cl)Cl
InChI InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3
InChI Key UOCLXMDMGBRAIB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1,1,1-trichloroethane
Synonyms Click here for help
methylchloroform
Database Links Click here for help
CAS Registry No. 71-55-6
ChEBI CHEBI:36015
ChEMBL Ligand CHEMBL16080
GtoPdb PubChem SID 178102129
PubChem CID 6278
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Wikipedia 1,1,1-Trichloroethane