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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

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

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 #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
122.1 122.0368 1.35 0 1 Yes Yes NEUTRAL


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

Compound Cross References

ChemSpider ChemSpider:SMQUZDBALVYZAC-UHFFFAOYSA-N
Wikipedia Salicylaldehyde

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL108925



PDBe NK
KEGG Ligand C06202
ChEBI 16008
ZINC ZINC00896073
eMolecules 475256
IBM Patent System 8FDCB2986B811831CB4DBEB95F97F04D 11426FA917785EAE37A79F3B0D9B4227
FDA SRS 17K64GZH20
Human Metabolome Database HMDB34170
PubChem: Thomson Pharma 14916014
PubChem 6998
Mcule MCULE-8965879140
NMRShiftDB 10005738

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