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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL14193
CHEMBL14193
Compound Name 4-HYDROXYBENZALDEHYDE
ChEMBL Synonyms p-hydroxybenzaldehyde | Para-Hydroxybenzaldehyde
Max Phase 0
Trade Names
Molecular Formula C7H6O2

Additional synonyms for CHEMBL14193 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(C=O)cc1
Standard InChI InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
Standard InChI Key RGHHSNMVTDWUBI-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL14193

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 1.2 1 37.3 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
7.72 - 1.19 1.02 1 9 0.57

Structural Alerts

There are 6 structural alerts for CHEMBL14193. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RGHHSNMVTDWUBI-UHFFFAOYSA-N
PubChem SID: 124899140
Wikipedia 4-Hydroxybenzaldehyde

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL14193



ACToR 123-08-0 65581-83-1
BindingDB 50177411
Brenda 34543 711 108410 3659
ChEBI 17597
ChemicalBook CB6446138
DrugBank DB03560
eMolecules 481831
EPA CompTox Dashboard DTXSID8059552
FDA SRS O1738X3Y38
Human Metabolome Database HMDB0011718
IBM Patent System 91C1C1BE9F3A0B8E45C42FB9249C5CA7
KEGG Ligand C00633
Mcule MCULE-3788300475
Metabolights MTBLC17597
MolPort MolPort-000-871-206
Nikkaji J43.312H
NMRShiftDB 10005739
PDBe HBA
PubChem 126
PubChem: Thomson Pharma 14867231
Rhea 17597
SureChEMBL SCHEMBL37193
ZINC ZINC000000156709

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