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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL21932
CHEMBL21932
Compound Name p-ANISIC ACID
ChEMBL Synonyms 4-Methoxybenzoic Acid | 4-Methoxybenzoate | Sodium 4-Methoxybenzoate | P-Methoxybenzoic Acid | 4-Methoxy-Benzoic Acid
Max Phase 0
Trade Names
Molecular Formula C8H8O3

Additional synonyms for CHEMBL21932 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)C(=O)O
Standard InChI InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10 ...
Download InChI
Standard InChI Key ZEYHEAKUIGZSGI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL21932

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
152.2 152.0473 1.44 2 46.53 ACID


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
4.47 - 1.78 -.95 1 11 0.7

Structural Alerts

There are no structural alerts for CHEMBL21932

Compound Cross References

ChemSpider ChemSpider:ZEYHEAKUIGZSGI-UHFFFAOYSA-N
Wikipedia P-Anisic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL21932



ACToR 1335-08-6 100-09-4
BindingDB 243072
Brenda 18207 24580 49320 9100 153748 16710 97784 3443 137305
ChEBI 40813
DrugBank DB02795
eMolecules 478001
EPA CompTox Dashboard DTXSID4059205
FDA SRS 4SB6Y7DMM3
Human Metabolome Database HMDB0001101
IBM Patent System D8526EA9E8320DFC6ACDEBF684CCB60A
KEGG Ligand C02519
Mcule MCULE-7627915900
Metabolights MTBLC40813
MolPort MolPort-000-871-566
Nikkaji J3.229H
NMRShiftDB 10024826
PDBe ANN
PubChem 7478
PubChem: Thomson Pharma 15486755
SureChEMBL SCHEMBL43335
ZINC ZINC000000332748

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