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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2132328
CHEMBL2132328
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H8

Additional synonyms for CHEMBL2132328 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1=Cc2cccc3cccc1c23
Standard InChI InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
Standard InChI Key HXGDTGSAIMULJN-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL2132328

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
152.2 152.0626 3.32 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
- - 3.27 3.27 2 12 0.46

Structural Alerts

There are no structural alerts for CHEMBL2132328

Compound Cross References

ChemSpider ChemSpider:HXGDTGSAIMULJN-UHFFFAOYSA-N
PubChem SID: 144209023 SID: 144210904 SID: 26757384

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2132328



ACToR 34493-60-2 208-96-8
Brenda 125427
ChEBI 33081
ChemicalBook CB1665589
eMolecules 474264
EPA CompTox Dashboard DTXSID3023845
FDA SRS 1Z25C36811
IBM Patent System 9025284F239F2EB32652FB85314CCCDC 25E546811C646DA102AE347609863C44 72EBAE3C99018B265BDE5D3673AC5942
Mcule MCULE-4571389115
MolPort MolPort-003-925-028
Nikkaji J2.561E
NMRShiftDB 10016518
PubChem 9161
PubChem: Thomson Pharma 15120186
SureChEMBL SCHEMBL26037
ZINC ZINC000001689804

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