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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

Structural Alerts

There are no structural alerts for CHEMBL1762657

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

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
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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