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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

Structural Alerts

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

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

Compound Cross References

ChemSpider ChemSpider:SZIFAVKTNFCBPC-UHFFFAOYSA-N
Wikipedia 2-Chloroethanol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL191244



ACToR 59826-67-4 107-07-3
ChEBI 28200
eMolecules 482612
FDA SRS 753N66IHAN
KEGG Ligand C06753
Mcule MCULE-5139580173
MolPort MolPort-000-872-024
Nikkaji J4.050I
NMRShiftDB 10005722
PubChem 34
PubChem: Thomson Pharma 15146301
SureChEMBL SCHEMBL24987
ZINC ZINC08220697

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