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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL108925
CHEMBL108925
Compound Name SALICYLADEHYDE
ChEMBL Synonyms Salicylaldehyde | Salicyladehyde | 2-Hydroxybenzaldehyde | 2-Hydroxy-Benzaldehyde
Max Phase 0
Trade Names
Molecular Formula C7H6O2

Additional synonyms for CHEMBL108925 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccccc1C=O
Standard InChI InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
Standard InChI Key SMQUZDBALVYZAC-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL108925

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
122.1 122.0368 1.35 1 37.29 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.18 - 1.58 1.51 1 9 0.57

Structural Alerts

There are 6 structural alerts for CHEMBL108925. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SMQUZDBALVYZAC-UHFFFAOYSA-N
PubChem SID: 144208935 SID: 144213246
Wikipedia Salicylaldehyde

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL108925



ACToR 27761-48-4 90-02-8
BindingDB 50139367
Brenda 30398 20797 1511 3590 123967
ChEBI 16008
eMolecules 475256
EPA CompTox Dashboard DTXSID1021792
FDA SRS 17K64GZH20
Human Metabolome Database HMDB0034170
IBM Patent System 8FDCB2986B811831CB4DBEB95F97F04D
KEGG Ligand C06202
Mcule MCULE-8965879140
Metabolights MTBLC16008
MolPort MolPort-000-871-199
Nikkaji J10.607K
NMRShiftDB 10005738
PDBe NK
PubChem 6998
PubChem: Thomson Pharma 14916014
Rhea 16008
SureChEMBL SCHEMBL15395
ZINC ZINC000000896073

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