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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL309993
CHEMBL309993
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H8ClNO2

Additional synonyms for CHEMBL309993 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)Cc1c[nH]c2cccc(Cl)c12
Standard InChI InChI=1S/C10H8ClNO2/c11-7-2-1-3-8-10(7)6(5-12-8)4-9(13)14/h1 ...
Download InChI
Standard InChI Key WNCFBCKZRJDRKZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL309993

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
209.6 209.0244 2.45 2 53.09 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.28 - 2.22 -.81 2 14 0.8

Structural Alerts

There are no structural alerts for CHEMBL309993

Compound Cross References

ChemSpider ChemSpider:WNCFBCKZRJDRKZ-UHFFFAOYSA-N
Wikipedia 4-Chloroindole-3-acetic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL309993



ACToR 2519-61-1
Brenda 38816 45199
ChEBI 20339
eMolecules 651895
EPA CompTox Dashboard DTXSID10179857
Human Metabolome Database HMDB0032936
IBM Patent System 6E4F47F44C0E99E81972547F55FC8743
Mcule MCULE-1860664726
MolPort MolPort-001-832-190
Nikkaji J489.563K
PubChem 100413
PubChem: Thomson Pharma 14822433
SureChEMBL SCHEMBL154385
ZINC ZINC000000407973

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