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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2107497
CHEMBL2107497
Compound Name PHENOLATE SODIUM
ChEMBL Synonyms PHENOLATE SODIUM
Max Phase 0
Trade Names
Molecular Formula C6H5NaO

Additional synonyms for CHEMBL2107497 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[O-]c1ccccc1
Standard InChI InChI=1S/C6H6O.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1
Standard InChI Key NESLWCLHZZISNB-UHFFFAOYSA-M

Sources

  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2107497

Molecule Features

CHEMBL2107497 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unknown

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
94.1 94.0419 1.39 0 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
9.86 - 1.54 1.54 1 7 0.51

Structural Alerts

There are no structural alerts for CHEMBL2107497

Compound Cross References

ChemSpider ChemSpider:NESLWCLHZZISNB-UHFFFAOYSA-M
PubChem SID: 144209410 SID: 144213568

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2107497



ACToR 139-02-6
ChEBI 52476
eMolecules 886908
EPA CompTox Dashboard DTXSID4027072
FDA SRS 4NC0T56V35
Metabolights MTBLC52476
Nikkaji J5.639A
PubChem 4445035
PubChem: Thomson Pharma 15146490
SureChEMBL SCHEMBL22191

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