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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL84336
CHEMBL84336
Compound Name THIOCYANIC ACID
ChEMBL Synonyms Thiocyanate
Max Phase 0
Trade Names
Molecular Formula CHNS

Additional synonyms for CHEMBL84336 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES SC#N
Standard InChI InChI=1S/CHNS/c2-1-3/h3H
Standard InChI Key ZMZDMBWJUHKJPS-UHFFFAOYSA-N

Sources

  • Patent Bioactivity Data
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL84336

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
59.1 58.983 0.4 0 23.79 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.93 - .43 -3.67 0 3 0.32

Structural Alerts

There are 12 structural alerts for CHEMBL84336. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZMZDMBWJUHKJPS-UHFFFAOYSA-N
Wikipedia Sodium_thiocyanate Thiocyanate Thiocyanic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL84336



ACToR 463-56-9 134932-16-4
Brenda 15987
ChEBI 29200
eMolecules 889020
EPA CompTox Dashboard DTXSID7047221
FDA SRS A5KWW7N91V
KEGG Ligand C01755
Mcule MCULE-9925206507
Metabolights MTBLC29200
Nikkaji J402B
PubChem 781
PubChem: Thomson Pharma 15412702
SureChEMBL SCHEMBL8900

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