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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3185326
CHEMBL3185326
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C3H3NaO2

Additional synonyms for CHEMBL3185326 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[O-]C(=O)C=C
Standard InChI InChI=1S/C3H4O2.Na/c1-2-3(4)5;/h2H,1H2,(H,4,5);/q;+1/p-1
Standard InChI Key NNMHYFLPFNGQFZ-UHFFFAOYSA-M

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3185326

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
72.1 72.0211 0.26 1 37.3 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.25 - .15 -2.9 0 5 0.45

Structural Alerts

There are 7 structural alerts for CHEMBL3185326. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NNMHYFLPFNGQFZ-UHFFFAOYSA-M
PubChem SID: 144209952

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3185326



ACToR 7446-81-3 124740-94-9 100359-37-3 28603-11-4 105287-10-3
eMolecules 505457
EPA CompTox Dashboard DTXSID4027652
FDA SRS 7C98FKB43H
MolPort MolPort-003-932-110
Nikkaji J107.533K
PubChem 4068533
PubChem: Thomson Pharma 15218692
SureChEMBL SCHEMBL16257

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