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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1412576
CHEMBL1412576
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C7H6Cl2

Additional synonyms for CHEMBL1412576 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClC(Cl)c1ccccc1
Standard InChI InChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
Standard InChI Key CAHQGWAXKLQREW-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1412576

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
161 159.9847 3.16 1 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.68 2.68 1 9 0.55

Structural Alerts

There are 6 structural alerts for CHEMBL1412576. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CAHQGWAXKLQREW-UHFFFAOYSA-N
PubChem SID: 144208511 SID: 144210491 SID: 17389191

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1412576



ACToR 98-87-3 29797-40-8
ChEBI 82273
eMolecules 491915
EPA CompTox Dashboard DTXSID6025014
FDA SRS 222447TR16
IBM Patent System E18E6605F06430309461D66605E0B0E1
KEGG Ligand C19165
Mcule MCULE-5551252494
MolPort MolPort-001-783-835
Nikkaji J3.986A
NMRShiftDB 10005868
PubChem 7411
PubChem: Thomson Pharma 15091203
SureChEMBL SCHEMBL28353
ZINC ZINC000001586312

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