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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3185488
CHEMBL3185488
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C2H3F3O3S

Additional synonyms for CHEMBL3185488 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COS(=O)(=O)C(F)(F)F
Standard InChI InChI=1S/C2H3F3O3S/c1-8-9(6,7)2(3,4)5/h1H3
Standard InChI Key OIRDBPQYVWXNSJ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3185488

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
164.1 163.9755 0.48 1 43.37 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .39 .39 0 9 0.42

Structural Alerts

There are 16 structural alerts for CHEMBL3185488. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OIRDBPQYVWXNSJ-UHFFFAOYSA-N
PubChem SID: 144210112

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3185488



ACToR 333-27-7
ChemicalBook CB9131563
eMolecules 484636
EPA CompTox Dashboard DTXSID6049272
FDA SRS 7B25Z22EPV
IBM Patent System 72E668E88C30D361BEB9D6577E40FDAF
Mcule MCULE-3278377809
MolPort MolPort-001-776-092
Nikkaji J193.765K
NMRShiftDB 19878
PubChem 9526
PubChem: Thomson Pharma 16935755
SureChEMBL SCHEMBL38490
ZINC ZINC000059699224

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