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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3185256
CHEMBL3185256
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C2H5ClO

Additional synonyms for CHEMBL3185256 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COCCl
Standard InChI InChI=1S/C2H5ClO/c1-4-2-3/h2H2,1H3
Standard InChI Key XJUZRXYOEPSWMB-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3185256

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
80.5 80.0029 0.83 1 9.23 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .18 .18 0 4 0.42

Structural Alerts

There are 8 structural alerts for CHEMBL3185256. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XJUZRXYOEPSWMB-UHFFFAOYSA-N
PubChem SID: 144208773 SID: 144213256

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3185256



ACToR 107-30-2
ChEBI 82271
eMolecules 477630
EPA CompTox Dashboard DTXSID6020307
FDA SRS 334G5B96VG
Human Metabolome Database HMDB0031332
KEGG Ligand C19160
MolPort MolPort-001-779-746
Nikkaji J4.063K
NMRShiftDB 10017226
PubChem 7864
PubChem: Thomson Pharma 14842792
SureChEMBL SCHEMBL717
ZINC ZINC000070667158

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