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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL191244
CHEMBL191244
Compound Name 2-CHLOROETHANOL
ChEMBL Synonyms 2-Chloroethanol
Max Phase 0
Trade Names
Molecular Formula C2H5ClO

Additional synonyms for CHEMBL191244 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCCCl
Standard InChI InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2
Standard InChI Key SZIFAVKTNFCBPC-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL191244

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
80.5 80.0029 0.31 1 20.23 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 1 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.11 -.11 0 4 0.45

Structural Alerts

There are 9 structural alerts for CHEMBL191244. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SZIFAVKTNFCBPC-UHFFFAOYSA-N
PubChem SID: 144210363
Wikipedia 2-Chloroethanol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL191244



ACToR 59826-67-4 107-07-3
Brenda 6422 20185 104613
ChEBI 28200
eMolecules 482612
EPA CompTox Dashboard DTXSID1021877
FDA SRS 753N66IHAN
KEGG Ligand C06753
Mcule MCULE-5139580173
Metabolights MTBLC28200
MolPort MolPort-000-872-024
Nikkaji J4.050I
NMRShiftDB 10005722
PubChem 34
PubChem: Thomson Pharma 15146301
Rhea 28200
SureChEMBL SCHEMBL24987
ZINC ZINC000008220697

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/SZIFAVKTNFCBPC-UHFFFAOYSA-N spacer
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