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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2251610
CHEMBL2251610
Compound Name ETHYL SALICYLATE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H10O3

Additional synonyms for CHEMBL2251610 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)c1ccccc1O
Standard InChI InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2, ...
Download InChI
Standard InChI Key GYCKQBWUSACYIF-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2251610

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
166.2 166.063 1.57 2 46.53 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.93 - 3.03 3.03 1 12 0.68

Structural Alerts

There are 1 structural alerts for CHEMBL2251610. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GYCKQBWUSACYIF-UHFFFAOYSA-N
PubChem SID: 144206317 SID: 144207003 SID: 170466844

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2251610



ACToR 119901-88-1 1321-50-2 118-61-6
Brenda 75755
ChEBI 88839
ChemicalBook CB1723193
eMolecules 478781
EPA CompTox Dashboard DTXSID1021958
FDA SRS 555U6TZ2MV
Human Metabolome Database HMDB0029817
IBM Patent System 9A8E2484BA85AAFC1D2C6345F59CD113
Mcule MCULE-4696992338
MolPort MolPort-001-783-866
Nikkaji J5.527A
NMRShiftDB 20033070
PubChem 8365
PubChem: Thomson Pharma 15213306
SureChEMBL SCHEMBL39622
ZINC ZINC000000157490

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