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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1570502
CHEMBL1570502
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H12

Additional synonyms for CHEMBL1570502 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1C=CC2C3CC(C=C3)C12
Standard InChI InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3 ...
Download InChI
Standard InChI Key HECLRDQVFMWTQS-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1570502

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
132.2 132.0939 2.38 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
- - 3.71 3.71 0 10 0.44

Structural Alerts

There are 1 structural alerts for CHEMBL1570502. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HECLRDQVFMWTQS-UHFFFAOYSA-N
PubChem SID: 144213978 SID: 17389054 SID: 49816811

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1570502



ACToR 151065-56-4 1755-01-7 77-73-6 107760-16-7
ChEBI 34695
ChemicalBook CB3854309
eMolecules 501537
EPA CompTox Dashboard DTXSID5025023
IBM Patent System A1A242CFDC638873FF427482C054349B
KEGG Ligand C14411
Mcule MCULE-9069962871
MolPort MolPort-003-931-065
Nikkaji J9.241J
PubChem 6492
SureChEMBL SCHEMBL15576

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