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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1762657
CHEMBL1762657
Compound Name
ChEMBL Synonyms Sodium 4-Methoxybenzoate
Max Phase 0
Trade Names
Molecular Formula C8H7NaO3

Additional synonyms for CHEMBL1762657 found using NCI Chemical Identifier Resolver

Compound Representations

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

Alternate Forms of Compound in ChEMBL


CHEMBL1762657

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 CHEMBL1762657

Compound Cross References

ChemSpider ChemSpider:AETSDHMVQHOYPB-UHFFFAOYSA-M
Wikipedia P-Anisic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1762657



ACToR 536-45-8
EPA CompTox Dashboard DTXSID00201818
FDA SRS F9WFJ28MV9
Nikkaji J26.905K
PubChem 23663627
PubChem: Thomson Pharma 15219550
SureChEMBL SCHEMBL1043956

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