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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2145254
CHEMBL2145254
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H11ClO3

Additional synonyms for CHEMBL2145254 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](Oc1ccc(Cl)cc1C)C(=O)O
Standard InChI InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5 ...
Download InChI
Standard InChI Key WNTGYJSOUMFZEP-SSDOTTSWSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL2145254

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
214.7 214.0397 2.5 3 46.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.19 - 2.56 -1.06 1 14 0.84

Structural Alerts

There are no structural alerts for CHEMBL2145254

Compound Cross References

ChemSpider ChemSpider:WNTGYJSOUMFZEP-SSDOTTSWSA-N
PubChem SID: 251919712 SID: 26757212

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2145254



ACToR 16484-77-8
Brenda 4190
ChEBI 75703
eMolecules 501705
EPA CompTox Dashboard DTXSID3032670
FDA SRS 455R9M917H
IBM Patent System 8E7E449872D2FE68E938496606DAD141
KEGG Ligand C18608
Mcule MCULE-1380857432
Nikkaji J35.365E
PubChem 185588
PubChem: Thomson Pharma 15244781
SureChEMBL SCHEMBL54983
ZINC ZINC000000256144

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