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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3185875
CHEMBL3185875
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C2H4Cl2O

Additional synonyms for CHEMBL3185875 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClCOCCl
Standard InChI InChI=1S/C2H4Cl2O/c3-1-5-2-4/h1-2H2
Standard InChI Key HRQGCQVOJVTVLU-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3185875

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
115 113.9639 1.4 2 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
- - .36 .36 0 5 0.49

Structural Alerts

There are 8 structural alerts for CHEMBL3185875. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HRQGCQVOJVTVLU-UHFFFAOYSA-N
PubChem SID: 144208038

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3185875



ACToR 542-88-1
ChEBI 82270
eMolecules 972762
EPA CompTox Dashboard DTXSID8020173
FDA SRS 77382IHE37
KEGG Ligand C19158
Mcule MCULE-6476086606
MolPort MolPort-000-001-413
Nikkaji J3.293J
PubChem 10967
PubChem: Thomson Pharma 16129540
SureChEMBL SCHEMBL998
ZINC ZINC000004202480

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