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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1903906
CHEMBL1903906
Compound Name E232
ChEMBL Synonyms E232
Max Phase 0
Trade Names
Molecular Formula C12H17NaO5

Additional synonyms for CHEMBL1903906 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O.O.O.O.[Na+].[O-]c1ccccc1c2ccccc2
Standard InChI InChI=1S/C12H10O.Na.4H2O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-1 ...
Download InChI
Standard InChI Key SEVSIOOUCUTMMP-UHFFFAOYSA-M

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1903906

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
170.2 170.0732 3.11 1 20.23 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 1 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10 - 3.29 3.29 2 13 0.7

Structural Alerts

There are no structural alerts for CHEMBL1903906

Compound Cross References

ChemSpider ChemSpider:SEVSIOOUCUTMMP-UHFFFAOYSA-M
PubChem SID: 144205650 SID: 144211704 SID: 170465724 SID: 26757740
Wikipedia Sodium_orthophenyl_phenol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1903906



ACToR 6152-33-6
eMolecules 24281411
EPA CompTox Dashboard DTXSID1040794
PubChem 517383
SureChEMBL SCHEMBL5671367

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