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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3272628
CHEMBL3272628
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H8

Additional synonyms for CHEMBL3272628 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc2cccc2cc1
Standard InChI InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H
Standard InChI Key CUFNKYGDVFVPHO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3272628

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
128.2 128.0626 2.79 0 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.36 3.36 0 10 0.51

Structural Alerts

There are 1 structural alerts for CHEMBL3272628. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CUFNKYGDVFVPHO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3272628



ACToR 275-51-4
Brenda 105502
ChEBI 31249
eMolecules 479187
EPA CompTox Dashboard DTXSID2059770
FDA SRS 82R6M9MGLP
IBM Patent System CB3E67797FC3DD9E4E14612C9AB6A839
KEGG Ligand C13392
Mcule MCULE-9439882903
Metabolights MTBLC31249
MolPort MolPort-001-787-037
Nikkaji J39.308H
NMRShiftDB 10016513
PubChem 9231
PubChem: Thomson Pharma 15170652
SureChEMBL SCHEMBL8463
ZINC ZINC000001570209

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