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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3236921
CHEMBL3236921
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C7H7ClO

Additional synonyms for CHEMBL3236921 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccc(O)c1Cl
Standard InChI InChI=1S/C7H7ClO/c1-5-3-2-4-6(9)7(5)8/h2-4,9H,1H3
Standard InChI Key HKHXLHGVIHQKMK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3236921

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
142.6 142.0185 2.35 0 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
8.6 - 2.69 2.67 1 9 0.59

Structural Alerts

There are no structural alerts for CHEMBL3236921

Compound Cross References

ChemSpider ChemSpider:HKHXLHGVIHQKMK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3236921



ACToR 608-26-4
EPA CompTox Dashboard DTXSID90209641
IBM Patent System 503EC2AE44BB6E305F0211FBC9289D39
Mcule MCULE-5294277070
MolPort MolPort-006-112-058
Nikkaji J95.368G
PubChem 14852
PubChem: Thomson Pharma 15321521
SureChEMBL SCHEMBL546021
ZINC ZINC000001999368

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